 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer05_STD_wB97XD_augccpVDZ.in
 Output=21_phenylethanol_conformer05_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-29634.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29635.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer05_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:06 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer05_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.206683000000      0.991247000000     -0.693458000000
  C                                                -1.642229000000     -0.263628000000     -0.312054000000
  H                                                -3.164880000000      0.922730000000     -0.631250000000
  H                                                -1.839152000000     -1.004057000000     -1.098273000000
  C                                                -2.254977000000     -0.761668000000      0.996255000000
  C                                                -0.146221000000     -0.098970000000     -0.189451000000
  H                                                -1.821288000000     -1.719640000000      1.286063000000
  H                                                -3.335121000000     -0.898007000000      0.890460000000
  H                                                -2.067076000000     -0.041194000000      1.793736000000
  C                                                 0.419918000000      1.122300000000      0.166451000000
  C                                                 1.795424000000      1.237450000000      0.329195000000
  C                                                 2.619920000000      0.134599000000      0.141627000000
  C                                                 2.060837000000     -1.086536000000     -0.217112000000
  C                                                 0.686656000000     -1.198736000000     -0.383700000000
  H                                                -0.222613000000      1.980785000000      0.301021000000
  H                                                 2.224694000000      2.193556000000      0.600973000000
  H                                                 3.691054000000      0.226969000000      0.266922000000
  H                                                 2.695233000000     -1.949451000000     -0.374819000000
  H                                                 0.256637000000     -2.150534000000     -0.674443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.427862   0.000000
     3  H    0.962656   1.956476   0.000000
     4  H    2.068863   1.097795   2.384989   0.000000
     5  C    2.435195   1.528128   2.512746   2.149119   0.000000
     6  C    2.384974   1.510028   3.217353   2.123948   2.508370
     7  H    3.378748   2.169334   3.530361   2.489465   1.090773
     8  H    2.711356   2.171258   2.379005   2.490829   1.093843
     9  H    2.696583   2.159704   2.831056   3.056595   1.091039
    10  C    2.766885   2.530260   3.677898   3.350271   3.375348
    11  C    4.138030   3.805508   5.062225   4.502462   4.565872
    12  C    4.972656   4.304686   5.889177   4.766258   5.029742
    13  C    4.770306   3.794587   5.613981   3.999145   4.494891
    14  C    3.641893   2.510630   4.404115   2.632151   3.278492
    15  H    2.429960   2.725539   3.262751   3.671581   3.483519
    16  H    4.770556   4.671666   5.672819   5.443070   5.381175
    17  H    6.024098   5.387003   6.949434   5.827723   6.071624
    18  H    5.725209   4.653978   6.531164   4.688049   5.272120
    19  H    3.992380   2.701376   4.599304   2.426185   3.320901
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.758544   0.000000
     8  H    3.460311   1.767278   0.000000
     9  H    2.761531   1.770685   1.777069   0.000000
    10  C    1.392365   3.788556   4.325060   3.191695   0.000000
    11  C    2.413503   4.768709   5.585489   4.324201   1.389878
    12  C    2.795658   4.946945   6.090118   4.972756   2.411675
    13  C    2.418089   4.210849   5.511680   4.709131   2.778253
    14  C    1.393163   3.057651   4.229493   3.696508   2.400213
    15  H    2.138172   4.149604   4.280489   3.117473   1.080718
    16  H    3.391413   5.670311   6.368132   4.983581   2.143272
    17  H    3.878040   5.934126   7.142934   5.963148   3.392940
    18  H    3.395954   4.817707   6.250731   5.569889   3.860788
    19  H    2.146259   2.889122   4.113207   3.992601   3.383076
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389696   0.000000
    13  C    2.402042   1.390122   0.000000
    14  C    2.769944   2.406504   1.388781   0.000000
    15  H    2.150771   3.393200   3.858894   3.377124   0.000000
    16  H    1.082716   2.146277   3.384541   3.852634   2.474784
    17  H    2.149038   1.082386   2.148765   3.388562   4.288802
    18  H    3.385503   2.148407   1.082567   2.144303   4.941390
    19  H    3.854036   3.387168   2.143917   1.084144   4.271886
                   16         17         18         19
    16  H    0.000000
    17  H    2.475735   0.000000
    18  H    4.282299   2.477962   0.000000
    19  H    4.936705   4.281811   2.465149   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4754003           1.1392966           0.9690623
 Leave Link  202 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.8905530360 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0101895700 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.8803634660 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.76D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer05_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:12 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.009284482847    
 DIIS: error= 2.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.009284482847     IErMin= 1 ErrMin= 2.45D-03
 ErrMax= 2.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-03 BMatP= 4.91D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 GapD=    0.378 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.12D-02 MaxDP=2.82D+00              OVMax= 1.63D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.32D-02    CP:  1.54D+00
 E= -386.013297297345     Delta-E=       -0.004012814497 Rises=F Damp=F
 DIIS: error= 3.13D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.013297297345     IErMin= 2 ErrMin= 3.13D-04
 ErrMax= 3.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.16D-05 BMatP= 4.91D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.13D-03
 Coeff-Com: -0.509D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.508D-01 0.105D+01
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=8.44D-03 MaxDP=4.84D-01 DE=-4.01D-03 OVMax= 5.08D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.37D-03    CP:  1.63D+00  1.16D+00
 E= -386.013409122212     Delta-E=       -0.000111824868 Rises=F Damp=F
 DIIS: error= 1.92D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -386.013409122212     IErMin= 3 ErrMin= 1.92D-04
 ErrMax= 1.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.61D-05 BMatP= 8.16D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.92D-03
 Coeff-Com: -0.355D-01 0.463D+00 0.573D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.355D-01 0.462D+00 0.574D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=5.34D-04 MaxDP=3.10D-02 DE=-1.12D-04 OVMax= 1.91D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.90D-05    CP:  1.64D+00  1.17D+00  1.09D+00
 E= -386.013444297136     Delta-E=       -0.000035174923 Rises=F Damp=F
 DIIS: error= 6.76D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.013444297136     IErMin= 4 ErrMin= 6.76D-05
 ErrMax= 6.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-06 BMatP= 4.61D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.269D-03-0.660D-01 0.153D+00 0.912D+00
 Coeff:      0.269D-03-0.660D-01 0.153D+00 0.912D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.27D-04 MaxDP=1.79D-02 DE=-3.52D-05 OVMax= 8.35D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.37D-05    CP:  1.64D+00  1.17D+00  1.17D+00  1.54D+00
 E= -386.013448066694     Delta-E=       -0.000003769558 Rises=F Damp=F
 DIIS: error= 2.24D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.013448066694     IErMin= 5 ErrMin= 2.24D-05
 ErrMax= 2.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-07 BMatP= 3.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.247D-02-0.502D-01 0.617D-02 0.249D+00 0.792D+00
 Coeff:      0.247D-02-0.502D-01 0.617D-02 0.249D+00 0.792D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=2.86D-05 MaxDP=2.01D-03 DE=-3.77D-06 OVMax= 2.50D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.27D-05    CP:  1.64D+00  1.18D+00  1.18D+00  1.63D+00  1.27D+00
 E= -386.013448328802     Delta-E=       -0.000000262109 Rises=F Damp=F
 DIIS: error= 5.80D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.013448328802     IErMin= 6 ErrMin= 5.80D-06
 ErrMax= 5.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-08 BMatP= 1.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.632D-03-0.795D-02-0.913D-02-0.845D-02 0.242D+00 0.783D+00
 Coeff:      0.632D-03-0.795D-02-0.913D-02-0.845D-02 0.242D+00 0.783D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.98D-05 MaxDP=1.12D-03 DE=-2.62D-07 OVMax= 7.36D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.69D-06    CP:  1.64D+00  1.17D+00  1.18D+00  1.67D+00  1.32D+00
                    CP:  1.01D+00
 E= -386.013448359445     Delta-E=       -0.000000030643 Rises=F Damp=F
 DIIS: error= 1.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.013448359445     IErMin= 7 ErrMin= 1.43D-06
 ErrMax= 1.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-09 BMatP= 2.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.795D-04 0.324D-02-0.297D-02-0.328D-01-0.213D-01 0.221D+00
 Coeff-Com:  0.832D+00
 Coeff:     -0.795D-04 0.324D-02-0.297D-02-0.328D-01-0.213D-01 0.221D+00
 Coeff:      0.832D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=9.10D-06 MaxDP=5.28D-04 DE=-3.06D-08 OVMax= 3.07D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.43D-06    CP:  1.64D+00  1.17D+00  1.18D+00  1.67D+00  1.33D+00
                    CP:  1.08D+00  1.02D+00
 E= -386.013448362935     Delta-E=       -0.000000003490 Rises=F Damp=F
 DIIS: error= 8.03D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.013448362935     IErMin= 8 ErrMin= 8.03D-07
 ErrMax= 8.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-10 BMatP= 2.17D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.902D-04 0.204D-02-0.310D-03-0.133D-01-0.322D-01 0.179D-01
 Coeff-Com:  0.364D+00 0.662D+00
 Coeff:     -0.902D-04 0.204D-02-0.310D-03-0.133D-01-0.322D-01 0.179D-01
 Coeff:      0.364D+00 0.662D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.33D-06 MaxDP=7.07D-05 DE=-3.49D-09 OVMax= 8.17D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.20D-07    CP:  1.64D+00  1.17D+00  1.18D+00  1.67D+00  1.33D+00
                    CP:  1.09D+00  1.05D+00  9.35D-01
 E= -386.013448363505     Delta-E=       -0.000000000570 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.013448363505     IErMin= 9 ErrMin= 1.21D-07
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-11 BMatP= 4.08D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.583D-05-0.262D-04 0.270D-03 0.149D-02-0.253D-02-0.211D-01
 Coeff-Com: -0.320D-01 0.902D-01 0.964D+00
 Coeff:     -0.583D-05-0.262D-04 0.270D-03 0.149D-02-0.253D-02-0.211D-01
 Coeff:     -0.320D-01 0.902D-01 0.964D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=5.12D-07 MaxDP=2.43D-05 DE=-5.70D-10 OVMax= 3.51D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  1.64D+00  1.17D+00  1.18D+00  1.67D+00  1.33D+00
                    CP:  1.09D+00  1.06D+00  1.01D+00  1.09D+00
 E= -386.013448363531     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 4.25D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.013448363531     IErMin=10 ErrMin= 4.25D-08
 ErrMax= 4.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-12 BMatP= 1.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.625D-05-0.193D-03 0.119D-03 0.178D-02 0.216D-02-0.881D-02
 Coeff-Com: -0.442D-01-0.333D-01 0.329D+00 0.753D+00
 Coeff:      0.625D-05-0.193D-03 0.119D-03 0.178D-02 0.216D-02-0.881D-02
 Coeff:     -0.442D-01-0.333D-01 0.329D+00 0.753D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.82D-07 MaxDP=1.06D-05 DE=-2.58D-11 OVMax= 1.00D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.45D-08    CP:  1.64D+00  1.17D+00  1.18D+00  1.67D+00  1.33D+00
                    CP:  1.09D+00  1.06D+00  1.01D+00  1.12D+00  1.16D+00
 E= -386.013448363525     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -386.013448363531     IErMin=11 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-13 BMatP= 2.51D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-05-0.476D-04-0.426D-05 0.293D-03 0.806D-03 0.160D-03
 Coeff-Com: -0.751D-02-0.198D-01-0.208D-01 0.197D+00 0.850D+00
 Coeff:      0.227D-05-0.476D-04-0.426D-05 0.293D-03 0.806D-03 0.160D-03
 Coeff:     -0.751D-02-0.198D-01-0.208D-01 0.197D+00 0.850D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=5.04D-08 MaxDP=3.07D-06 DE= 5.80D-12 OVMax= 3.73D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.64D+00  1.17D+00  1.18D+00  1.67D+00  1.33D+00
                    CP:  1.09D+00  1.06D+00  1.01D+00  1.12D+00  1.24D+00
                    CP:  1.09D+00
 E= -386.013448363546     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 6.91D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -386.013448363546     IErMin=12 ErrMin= 6.91D-09
 ErrMax= 6.91D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-14 BMatP= 2.37D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.231D-06 0.121D-04-0.177D-04-0.148D-03-0.605D-04 0.124D-02
 Coeff-Com:  0.347D-02-0.185D-02-0.467D-01-0.363D-01 0.233D+00 0.848D+00
 Coeff:     -0.231D-06 0.121D-04-0.177D-04-0.148D-03-0.605D-04 0.124D-02
 Coeff:      0.347D-02-0.185D-02-0.467D-01-0.363D-01 0.233D+00 0.848D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.12D-08 MaxDP=4.74D-07 DE=-2.07D-11 OVMax= 2.19D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.57D-09    CP:  1.64D+00  1.17D+00  1.18D+00  1.67D+00  1.33D+00
                    CP:  1.09D+00  1.06D+00  1.01D+00  1.12D+00  1.26D+00
                    CP:  1.22D+00  1.16D+00
 E= -386.013448363529     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 4.43D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -386.013448363546     IErMin=13 ErrMin= 4.43D-09
 ErrMax= 4.43D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.44D-15 BMatP= 3.27D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.404D-06 0.119D-04-0.657D-05-0.105D-03-0.146D-03 0.512D-03
 Coeff-Com:  0.256D-02 0.215D-02-0.165D-01-0.471D-01-0.390D-01 0.366D+00
 Coeff-Com:  0.732D+00
 Coeff:     -0.404D-06 0.119D-04-0.657D-05-0.105D-03-0.146D-03 0.512D-03
 Coeff:      0.256D-02 0.215D-02-0.165D-01-0.471D-01-0.390D-01 0.366D+00
 Coeff:      0.732D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=4.96D-09 MaxDP=2.25D-07 DE= 1.71D-11 OVMax= 8.51D-08

 SCF Done:  E(RwB97XD) =  -386.013448364     A.U. after   13 cycles
            NFock= 13  Conv=0.50D-08     -V/T= 2.0060
 KE= 3.836922773552D+02 PE=-1.749499587299D+03 EE= 5.539134981138D+02
 Leave Link  502 at Thu Aug 12 22:14:25 2021, MaxMem=  5368709120 cpu:            2016.9 elap:             252.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.12250924D+03

 Leave Link  801 at Thu Aug 12 22:14:25 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.14D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.13D-01 5.95D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 3.76D-02 4.75D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.95D-03 1.06D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.33D-04 3.70D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.72D-05 5.11D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 5.84D-07 1.17D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.32D-08 1.96D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 2.88D-10 3.57D-06.
     10 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 5.70D-12 2.78D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.08D-13 4.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.130215D+03
      2  0.105068D+01  0.105488D+03
      3  0.133233D+01  0.634936D+01  0.736363D+02
 Isotropic polarizability for W=    0.085645      103.11 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.858754D+02  0.100764D+02  0.226065D+01
      2  -0.339393D+02 -0.149306D+02 -0.161662D+02
      3  -0.519361D+02  0.485421D+01  0.139056D+02
      4  -0.190755D+02  0.772853D+02  0.327431D+02
      5   0.302692D+02  0.341481D+02 -0.478559D+01
      6   0.124172D+02  0.101212D+02 -0.166700D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.109169D+01  0.340024D+01  0.718088D+01
      2   0.670013D+01  0.134241D+02  0.943197D+00
      3  -0.654026D+01 -0.421330D+02 -0.127574D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.140504D+01  0.262874D+02  0.215242D+02
      2  -0.280085D+02  0.203259D+02  0.471505D+02
      3  -0.291519D+02 -0.111225D+03 -0.217310D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.684618D+00 -0.274023D+01 -0.111362D+01
      2  -0.274023D+01 -0.184305D+01  0.228820D+01
      3  -0.111362D+01  0.228820D+01  0.733465D+00
 OR G Eigenvalues:    -4.0329    -0.3869     3.9949  Iso=     0.1417
 Eigenvectors:
   (1)   0.421577   0.851973  -0.310508
   (2)   0.655627  -0.049824   0.753439
   (3)   0.626439  -0.521210  -0.579581
 w=    0.085645 a.u., Optical Rotation Beta=      0.1417 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       54.99 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.73D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.61D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 3.54D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 3.51D-02 3.13D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.84D-03 6.30D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.85D-05 6.53D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.98D-07 1.10D-04.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.83D-09 8.54D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 3.80D-11 6.17D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.75D-13 5.29D-08.
      6 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 3.73D-15 7.38D-09.
      1 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 6.22D-16 3.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.33D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.33D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.38D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130215D+03  0.105068D+01  0.133233D+01
      2   0.105068D+01  0.105488D+03  0.634936D+01
      3   0.133233D+01  0.634936D+01  0.736363D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.109169D+01  0.340024D+01  0.718088D+01
      2   0.670013D+01  0.134241D+02  0.943197D+00
      3  -0.654026D+01 -0.421330D+02 -0.127574D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.858754D+02  0.100764D+02  0.226065D+01
      2  -0.339393D+02 -0.149306D+02 -0.161662D+02
      3  -0.519361D+02  0.485421D+01  0.139056D+02
      4  -0.190755D+02  0.772853D+02  0.327431D+02
      5   0.302692D+02  0.341481D+02 -0.478559D+01
      6   0.124172D+02  0.101212D+02 -0.166700D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.733575D+01  0.551211D+00 -0.170548D+00  0.189322D+01 -0.219385D+01
      2   0.551211D+00  0.523049D+00  0.517210D+00 -0.219385D+01  0.327119D+01
      3  -0.170548D+00  0.517210D+00  0.394959D+00  0.134083D+01 -0.246515D+01
                 6             7             8             9            10 
      1   0.134083D+01 -0.963348D-01  0.989250D+00 -0.128036D+01  0.466903D+01
      2  -0.246515D+01  0.989250D+00 -0.651299D+00  0.119215D+01  0.135437D+01
      3   0.802909D+00 -0.128036D+01  0.119215D+01 -0.149573D+01 -0.107867D+01
                11            12            13            14            15 
      1   0.135437D+01 -0.107867D+01  0.422335D+01  0.379884D+01 -0.190682D+01
      2   0.130587D+01 -0.131173D+01  0.379884D+01  0.131280D+01  0.364573D+01
      3  -0.131173D+01  0.206071D+01 -0.190682D+01  0.364573D+01  0.371044D+01
                16            17            18            19            20 
      1  -0.485882D+01 -0.181266D+01  0.462881D+01 -0.116526D+02  0.198934D+01
      2  -0.181266D+01  0.184667D+01  0.387771D+01  0.198934D+01 -0.157430D+01
      3   0.462881D+01  0.387771D+01  0.142608D+00 -0.982954D+00  0.404450D+00
                21            22            23            24            25 
      1  -0.982954D+00  0.584982D+00 -0.899168D+00 -0.284083D-01  0.391144D+00
      2   0.404450D+00 -0.899168D+00  0.624962D+00 -0.103264D-01 -0.119138D+00
      3  -0.129738D+01 -0.284083D-01 -0.103264D-01  0.158444D+00 -0.778644D+00
                26            27            28            29            30 
      1  -0.119138D+00 -0.778644D+00 -0.895221D+00 -0.119967D+01 -0.104793D+01
      2   0.117011D+00  0.301541D+00 -0.119967D+01 -0.887378D+00 -0.370597D+00
      3   0.301541D+00 -0.397084D+00 -0.104793D+01 -0.370597D+00 -0.120463D+01
                31            32            33            34            35 
      1  -0.333996D+01 -0.175748D+01 -0.757233D+00 -0.190595D+01 -0.756598D+00
      2  -0.175748D+01 -0.392165D+01 -0.248307D+01 -0.756598D+00 -0.253877D+01
      3  -0.757233D+00 -0.248307D+01 -0.286766D+01 -0.190726D+01 -0.264138D+01
                36            37            38            39            40 
      1  -0.190726D+01  0.946136D+01  0.157362D+01  0.778837D+00 -0.659603D-01
      2  -0.264138D+01  0.157362D+01 -0.235101D+01  0.948913D+00 -0.259062D+01
      3  -0.423787D+01  0.778837D+00  0.948913D+00 -0.248213D+01  0.178563D+01
                41            42            43            44            45 
      1  -0.259062D+01  0.178563D+01  0.602015D+01  0.220408D+01 -0.380537D+01
      2   0.229239D+01 -0.293287D+01  0.220408D+01 -0.173603D+01 -0.326040D+01
      3  -0.293287D+01 -0.320407D+01 -0.380537D+01 -0.326040D+01  0.105495D+00
                46            47            48            49            50 
      1  -0.177919D+02 -0.281615D+01  0.228227D+00 -0.351308D+01  0.119937D+01
      2  -0.281615D+01 -0.300897D+01  0.166884D-01  0.119937D+01 -0.630786D-01
      3   0.228227D+00  0.166884D-01 -0.198368D+01  0.148653D+01 -0.275912D+00
                51            52            53            54            55 
      1   0.148653D+01 -0.609838D+00  0.136779D+01 -0.383837D+01  0.233861D+00
      2  -0.275912D+00  0.136779D+01 -0.428121D+00 -0.686105D+00 -0.983835D+00
      3  -0.214345D+00 -0.383837D+01 -0.686105D+00 -0.116264D+01  0.196268D+00
                56            57            58            59            60 
      1  -0.983835D+00  0.196268D+00 -0.178815D+01  0.604091D+00 -0.127862D+00
      2   0.164640D+01 -0.759922D+00  0.604091D+00 -0.599888D+01  0.234456D+01
      3  -0.759922D+00  0.107515D+01 -0.127862D+00  0.234456D+01 -0.196550D+01
                61            62            63            64            65 
      1   0.733794D-01 -0.361594D+00  0.358682D+00 -0.140265D+02 -0.223180D+01
      2  -0.361594D+00  0.159168D+01 -0.121021D+01 -0.223180D+01 -0.136367D+01
      3   0.358682D+00 -0.121021D+01  0.156869D+01  0.120003D+01  0.351870D+00
                66            67            68            69            70 
      1   0.120003D+01 -0.166104D+01 -0.142854D+01  0.285836D-01 -0.163887D+01
      2   0.351870D+00 -0.142854D+01 -0.971903D+00  0.432546D+00 -0.327275D+00
      3  -0.146345D+01  0.285836D-01  0.432546D+00 -0.252330D-01 -0.831246D+00
                71            72            73            74            75 
      1  -0.327275D+00 -0.831246D+00 -0.316092D+00  0.402930D+00  0.432751D+00
      2  -0.172107D+00  0.940075D-01  0.402930D+00  0.480676D+00  0.130372D-01
      3   0.940075D-01 -0.132509D+00  0.432751D+00  0.130372D-01  0.105009D+01
                76            77            78            79            80 
      1   0.152562D+01  0.121686D+00 -0.681628D+00  0.100173D+01 -0.129631D+00
      2   0.121686D+00  0.198178D+01  0.191453D+01 -0.129631D+00  0.187298D+01
      3  -0.681628D+00  0.191453D+01  0.338200D+01 -0.259757D+00  0.166019D+01
                81            82            83            84            85 
      1  -0.259757D+00  0.379551D+01 -0.772165D+00  0.111165D+00  0.844497D+01
      2   0.166019D+01 -0.772165D+00 -0.380942D+01 -0.875014D+00  0.244509D+00
      3   0.491419D+01  0.111165D+00 -0.875014D+00 -0.224707D+01  0.176502D+00
                86            87            88            89            90 
      1   0.244509D+00  0.176502D+00  0.301764D+01 -0.289595D+00 -0.191726D+01
      2   0.187557D+01 -0.787571D+00 -0.289595D+00 -0.177981D+01  0.314640D+01
      3  -0.787571D+00  0.157607D+01 -0.191726D+01  0.314640D+01  0.129231D+01
                91            92            93            94            95 
      1  -0.384865D+01 -0.433070D+00 -0.281997D+00  0.534195D+01  0.439190D+00
      2  -0.433070D+00  0.322368D+01 -0.241456D+00  0.439190D+00  0.165662D+01
      3  -0.281997D+00 -0.241456D+00  0.903688D+00 -0.395497D+00 -0.112630D+01
                96            97            98            99           100 
      1  -0.395497D+00  0.660580D+00 -0.915296D+00  0.201996D+01  0.637089D+01
      2  -0.112630D+01 -0.915296D+00 -0.121296D+01  0.369100D+01  0.531600D+00
      3   0.215087D+01  0.201996D+01  0.369100D+01  0.299900D+01 -0.608316D+00
               101           102           103           104           105 
      1   0.531600D+00 -0.608316D+00  0.134894D+01 -0.584589D+00 -0.146958D+01
      2   0.349616D+01  0.411961D-01 -0.584589D+00  0.316621D+00 -0.671788D+00
      3   0.411961D-01  0.322030D+01 -0.146958D+01 -0.671788D+00 -0.109231D+00
               106           107           108           109           110 
      1  -0.915486D-01 -0.147082D+01  0.526321D+01 -0.282756D+01 -0.824256D+00
      2  -0.147082D+01  0.259051D+00  0.271875D+00 -0.824256D+00  0.297555D+01
      3   0.526321D+01  0.271875D+00  0.125389D+01 -0.529463D+00  0.103415D+01
               111           112           113           114           115 
      1  -0.529463D+00 -0.621947D+01 -0.585954D+00 -0.103602D+01 -0.217422D+01
      2   0.103415D+01 -0.585954D+00 -0.142854D+01  0.146184D+01 -0.586445D+00
      3   0.211978D+01 -0.103602D+01  0.146184D+01 -0.204371D+01  0.295152D+01
               116           117           118           119           120 
      1  -0.586445D+00  0.295152D+01  0.480354D+01  0.259970D+01  0.753679D+00
      2   0.190415D+01 -0.307903D+01  0.259970D+01 -0.298017D+01 -0.730490D-01
      3  -0.307903D+01 -0.173143D+01  0.753679D+00 -0.730490D-01 -0.140536D+01
               121           122           123           124           125 
      1  -0.706019D+01 -0.950938D+00  0.332501D+00 -0.704063D+00  0.113105D+01
      2  -0.950938D+00 -0.205499D+01  0.114868D+01  0.113105D+01  0.104850D+01
      3   0.332501D+00  0.114868D+01 -0.138359D+01 -0.744866D+00 -0.316501D+01
               126           127           128           129           130 
      1  -0.744866D+00 -0.321480D+01  0.215986D+01  0.177475D+00  0.226007D+01
      2  -0.316501D+01  0.215986D+01 -0.268938D+01 -0.311031D+00 -0.279358D+01
      3  -0.306494D+01  0.177475D+00 -0.311031D+00 -0.354733D+00 -0.509863D+00
               131           132           133           134           135 
      1  -0.279358D+01 -0.509863D+00  0.504997D-02 -0.384833D+00 -0.667742D-01
      2   0.612318D+01  0.852728D+00 -0.384833D+00  0.112732D+01  0.184087D+00
      3   0.852728D+00  0.849217D+00 -0.667742D-01  0.184087D+00  0.127473D+00
               136           137           138           139           140 
      1   0.235292D+01  0.261814D+01  0.787315D+00  0.231832D+01  0.368927D+01
      2   0.261814D+01  0.289508D+01  0.803071D+00  0.368927D+01  0.871446D+01
      3   0.787315D+00  0.803071D+00  0.578774D+00  0.988917D+00  0.214922D+01
               141           142           143           144           145 
      1   0.988917D+00  0.750216D+00  0.113567D+01  0.298571D+00  0.128160D+02
      2   0.214922D+01  0.113567D+01  0.230515D+01  0.512707D+00  0.894061D+00
      3   0.133461D+01  0.298571D+00  0.512707D+00  0.308357D+00  0.122909D+01
               146           147           148           149           150 
      1   0.894061D+00  0.122909D+01  0.789117D+00  0.153111D+01  0.492757D+00
      2   0.783197D+00  0.701151D-01  0.153111D+01  0.343822D+00  0.174590D+00
      3   0.701151D-01  0.922282D+00  0.492757D+00  0.174590D+00  0.141732D+00
               151           152           153           154           155 
      1   0.141626D+01  0.496936D+00  0.206982D-01  0.438874D+01 -0.361658D+01
      2   0.496936D+00  0.125162D+00  0.219565D-01 -0.361658D+01  0.344032D+01
      3   0.206982D-01  0.219565D-01  0.147293D+00 -0.608035D+00  0.487286D+00
               156           157           158           159           160 
      1  -0.608035D+00 -0.350526D+01  0.430218D+01  0.915348D+00 -0.496571D+00
      2   0.487286D+00  0.430218D+01 -0.657861D+01 -0.121906D+01  0.693471D+00
      3   0.555522D+00  0.915348D+00 -0.121906D+01 -0.899520D+00  0.998488D-01
               161           162           163           164           165 
      1   0.693471D+00  0.998488D-01 -0.165427D+01 -0.179731D+01 -0.586933D+00
      2  -0.141015D+01 -0.220349D+00 -0.179731D+01 -0.210568D+01 -0.745189D+00
      3  -0.220349D+00 -0.184095D+00 -0.586933D+00 -0.745189D+00 -0.442825D+00
               166           167           168           169           170 
      1  -0.157744D+01 -0.214553D+01 -0.634691D+00 -0.759908D+00 -0.864357D+00
      2  -0.214553D+01 -0.749574D+01 -0.215237D+01 -0.864357D+00 -0.226843D+01
      3  -0.634691D+00 -0.215237D+01 -0.139343D+01 -0.211384D+00 -0.691142D+00
               171 
      1  -0.211384D+00
      2  -0.691142D+00
      3  -0.453010D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.286325D+00  0.664396D+00  0.881867D+00  0.193915D-01 -0.370752D+01
      2   0.620769D+01 -0.101141D+01  0.175743D+01  0.372317D-01  0.337964D+01
      3   0.148851D+02 -0.448214D+01  0.184045D+01  0.222947D+01  0.106605D+02
                 6             7             8             9            10 
      1  -0.431130D+01 -0.243990D+01  0.393426D+01  0.564274D+00 -0.159342D+01
      2  -0.324151D+01 -0.279118D+01 -0.584406D+00  0.305684D+01  0.274594D+01
      3  -0.513030D+01  0.863723D+00 -0.177943D+01  0.310981D+01  0.153252D+01
                11            12            13            14            15 
      1  -0.498468D+00  0.355558D-01  0.883495D+00  0.261102D+01  0.122239D+01
      2   0.190389D+01 -0.307024D+01  0.320602D+01 -0.584302D+01 -0.562576D+01
      3   0.168036D+01 -0.460806D+00  0.117051D+02 -0.315138D+01  0.806651D+01
                16            17            18            19            20 
      1   0.471492D+01  0.465734D+01 -0.190443D+01 -0.638854D+00  0.825971D+00
      2  -0.153709D+02 -0.905190D+01 -0.113095D+00 -0.640906D+01  0.390751D+00
      3  -0.125572D+01  0.693458D+01  0.576602D+01 -0.901775D+01 -0.394021D+01
                21            22            23            24            25 
      1   0.883763D+00  0.480748D+00 -0.192697D+00 -0.502580D+00  0.613630D+00
      2   0.489119D+01 -0.515138D-01 -0.938099D+00  0.141172D+00  0.127865D+01
      3   0.622237D-01 -0.120196D+01  0.305279D+00  0.395312D+00  0.257522D+00
                26            27            28            29            30 
      1   0.118629D+00 -0.357387D+00 -0.848115D+00  0.196527D+00 -0.101966D+01
      2  -0.410915D+00 -0.137252D-01  0.130682D+01  0.462398D+00  0.268062D+01
      3   0.435259D+00 -0.334566D+00 -0.239640D+01 -0.290714D+01 -0.197009D+00
                31            32            33            34            35 
      1  -0.176817D+00  0.128848D+01 -0.256025D+01 -0.116299D+01  0.137727D+01
      2  -0.554575D+00  0.415854D+01  0.537307D+01  0.291383D+00  0.403732D+01
      3   0.530417D+00 -0.726915D+01 -0.503693D+01  0.860536D+00 -0.518852D+01
                36            37            38            39            40 
      1  -0.240316D+01  0.381581D+01 -0.309680D+01 -0.167608D+01 -0.162334D+00
      2   0.694530D+01 -0.132019D+02 -0.485853D+01  0.910514D+01 -0.644627D+01
      3  -0.451198D+01 -0.325364D+01 -0.110763D+02  0.108513D+01 -0.492838D+01
                41            42            43            44            45 
      1   0.211333D+01 -0.102311D+02 -0.201675D+01 -0.515176D+01 -0.282995D+01
      2   0.104026D+02  0.656972D+01  0.620581D+01  0.744919D+01  0.343306D+01
      3   0.107506D+02 -0.108495D+02  0.153254D+01 -0.968489D+01 -0.568458D+01
                46            47            48            49            50 
      1  -0.283090D+00 -0.243969D+00 -0.300479D+00 -0.237306D+01 -0.366246D+01
      2  -0.274385D+01 -0.154429D+01 -0.119927D+01 -0.142205D+01  0.550892D+00
      3  -0.324897D+01  0.608969D+01  0.128653D+01  0.160417D+02  0.167450D+01
                51            52            53            54            55 
      1   0.126284D+01 -0.745187D-01  0.101006D+02  0.273525D+01 -0.157996D+01
      2   0.993099D+00 -0.133316D+02  0.664204D+00  0.162138D+00 -0.204982D+01
      3  -0.151569D+01  0.460256D+00  0.749283D+00 -0.411894D+00 -0.488531D+01
                56            57            58            59            60 
      1   0.198562D+01  0.111930D+01  0.130863D+01 -0.576508D+01 -0.105397D+01
      2   0.263572D+01 -0.202298D+01  0.324724D+01 -0.714049D+01  0.458480D+01
      3   0.505578D+01 -0.160802D+01  0.670981D+01 -0.158031D+02  0.614507D+01
                61            62            63            64            65 
      1   0.495710D+00  0.224223D+01  0.359634D+00 -0.680636D+00 -0.157806D+01
      2  -0.230075D+01  0.305463D+01 -0.371598D+01  0.958960D+01  0.854670D+00
      3  -0.837615D+00  0.439938D+01 -0.368588D+01  0.605188D+01 -0.580083D+01
                66            67            68            69            70 
      1  -0.164538D+01 -0.125214D+01 -0.612471D+00 -0.240377D+00 -0.109888D+01
      2   0.693876D+01  0.162258D+01 -0.291082D+00  0.385197D+00  0.153211D+01
      3   0.229778D+00 -0.128406D+01 -0.210724D+01  0.133772D+01 -0.919546D-02
                71            72            73            74            75 
      1   0.100833D+01 -0.487875D-01  0.126959D+01  0.140821D+01  0.602987D+00
      2  -0.327900D+00  0.838906D+00 -0.168092D+01 -0.858996D+00 -0.242008D+01
      3   0.519545D+00  0.139111D+01  0.176671D+01  0.995371D+00 -0.505772D-01
                76            77            78            79            80 
      1   0.461662D+00  0.536530D+01  0.372470D+01 -0.131933D+00  0.615546D+01
      2  -0.142669D+01 -0.557072D+01 -0.822327D+01 -0.290607D+01 -0.466931D+01
      3   0.157345D+01  0.540967D+01  0.549026D+01 -0.499075D+00  0.533400D+01
                81            82            83            84            85 
      1   0.630893D+01 -0.576533D+00  0.516149D-01  0.331234D+01 -0.862888D+00
      2  -0.119468D+02  0.241403D+01  0.115922D+00 -0.155639D+01  0.411136D+01
      3   0.505425D+01  0.250439D+01  0.393482D+00  0.136076D+01  0.494846D+01
                86            87            88            89            90 
      1   0.385513D+00 -0.248986D+01  0.649105D+01  0.301097D+01  0.672808D-01
      2   0.129479D+01  0.486253D+00 -0.117888D+02 -0.483945D+00  0.685310D-01
      3  -0.661464D+01  0.667542D+00 -0.734341D+00 -0.575098D+00 -0.507833D+01
                91            92            93            94            95 
      1   0.800552D+00  0.750084D+00 -0.171880D+01  0.160313D+01  0.132028D+00
      2  -0.536428D+00  0.260008D+01  0.462528D-01  0.151172D+01 -0.362172D+01
      3  -0.118631D-01 -0.114841D+02 -0.281781D+01  0.395367D+01 -0.209882D+01
                96            97            98            99           100 
      1  -0.367262D+01 -0.505213D+01  0.123448D+01 -0.158212D+01  0.262397D+00
      2   0.579156D+01 -0.795160D+01  0.883415D+01  0.484946D+01  0.105235D+00
      3   0.217342D+01 -0.550027D+00  0.234626D+01 -0.466325D+01 -0.121114D+01
               101           102           103           104           105 
      1  -0.755022D+00 -0.116364D+01 -0.118175D+01 -0.349201D+01  0.279840D+01
      2  -0.564532D+00  0.897010D+01 -0.499358D+01 -0.212700D+00  0.338790D+00
      3  -0.777843D+01  0.374452D+00  0.113339D+02  0.582811D+00  0.178466D+01
               106           107           108           109           110 
      1  -0.188913D+01  0.108248D+02  0.332028D+01 -0.685654D+00 -0.110942D+01
      2   0.765452D+01  0.136537D+01  0.295812D+01 -0.119905D+01  0.249669D+01
      3   0.472545D+01  0.132716D+01  0.516157D+00  0.106859D+01 -0.120982D+02
               111           112           113           114           115 
      1   0.300290D+01 -0.166995D+01  0.156462D+00 -0.273895D+01  0.696888D+01
      2   0.274097D+01 -0.102115D+01  0.405948D+01 -0.618301D+01 -0.437162D+01
      3  -0.254826D+01  0.553332D+01  0.867091D+00 -0.274881D+01 -0.462464D+00
               116           117           118           119           120 
      1   0.314139D+01  0.131564D+01 -0.767025D-01  0.194293D+01 -0.262556D+01
      2  -0.958397D+01 -0.497070D+01  0.413834D+01  0.181644D+01 -0.127323D+01
      3  -0.452847D+01  0.338018D+01 -0.170634D+01 -0.150139D+01 -0.248987D+01
               121           122           123           124           125 
      1   0.155384D+01  0.656406D+00 -0.292039D+01 -0.508308D+01  0.146184D+01
      2   0.150675D+01 -0.111952D+01 -0.133490D+01 -0.134019D+02 -0.126037D+01
      3   0.235311D+01  0.736856D+01  0.193115D+00 -0.357945D+01 -0.424715D+00
               126           127           128           129           130 
      1  -0.734562D+00  0.451318D+00 -0.620433D+00  0.190241D+01  0.206872D+00
      2  -0.289264D+01  0.159391D+01 -0.707551D+00  0.478763D+00 -0.698858D+00
      3   0.521464D+01 -0.916607D+01  0.348584D+01  0.130095D+00  0.662315D+01
               131           132           133           134           135 
      1  -0.823943D-01 -0.319739D+01 -0.147510D+00  0.183061D+01 -0.319272D-02
      2   0.120359D+01 -0.981650D+00 -0.150130D+01  0.553288D+00 -0.286029D+00
      3  -0.505808D+01 -0.120617D+01 -0.326425D+00 -0.692637D+00 -0.193117D+00
               136           137           138           139           140 
      1  -0.238082D+00  0.557761D-01 -0.175562D+01 -0.207170D+00  0.533712D+00
      2   0.427167D+00  0.815814D+00  0.188135D+01  0.666204D+00  0.320693D+01
      3  -0.752144D+00 -0.279954D+01 -0.554858D+00 -0.124425D+01 -0.126894D+02
               141           142           143           144           145 
      1  -0.423625D+01  0.567590D+00  0.207013D+01 -0.602175D+00 -0.125481D+00
      2   0.346535D+01 -0.595498D+00  0.130779D+00  0.744906D+00  0.164623D+01
      3  -0.282805D+01 -0.485204D+00 -0.335515D+01 -0.601966D+00 -0.175585D+00
               146           147           148           149           150 
      1   0.459655D+00 -0.447331D+00  0.113613D+00  0.217183D-01 -0.441944D+00
      2  -0.207833D-01  0.615933D+01  0.176815D+01  0.381843D+00  0.701880D+00
      3  -0.530200D+01  0.111100D+00 -0.356757D+01 -0.886237D+00 -0.401574D+00
               151           152           153           154           155 
      1   0.258259D+00  0.559647D+00 -0.179951D-01  0.247986D+00 -0.671486D+00
      2  -0.277029D+01 -0.892372D-01  0.569365D+00  0.159607D+00 -0.823879D-01
      3  -0.140815D+01 -0.759114D+00 -0.143155D+00  0.139360D+01 -0.477001D+01
               156           157           158           159           160 
      1   0.210258D+01  0.300362D+00  0.247438D+00 -0.339368D+01 -0.925818D+00
      2   0.259551D+01  0.776160D+00 -0.158881D+01 -0.327983D+01 -0.823924D+00
      3  -0.242274D+00 -0.300843D+01  0.108961D+02  0.152983D+01 -0.105646D+01
               161           162           163           164           165 
      1   0.171100D+01 -0.401061D+00  0.192541D+00  0.232879D+00 -0.149114D+01
      2   0.566033D+00 -0.449865D+00 -0.184746D+01 -0.126875D+01  0.116487D+00
      3   0.256659D+01  0.314230D+00  0.609503D+01  0.349285D+01  0.131569D+01
               166           167           168           169           170 
      1   0.288258D+00  0.828073D+00 -0.383736D+01  0.439966D+00  0.245960D+01
      2  -0.183872D+01 -0.231210D+01  0.390438D-01 -0.216673D+01 -0.720826D+00
      3   0.680886D+01  0.769073D+01  0.259967D+01  0.250410D+01  0.237598D+01
               171 
      1  -0.613192D+00
      2   0.961322D-01
      3   0.562315D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356857D+02  0.227542D+01  0.320583D+00 -0.691330D+01 -0.563121D+01
      2   0.196551D+02 -0.332591D+01 -0.125108D+01  0.118985D+01  0.130654D+02
      3   0.160306D+02  0.105049D+01  0.930501D+00  0.572345D+01 -0.743419D+01
      4   0.572480D+01  0.556138D+01 -0.224376D+01  0.187340D+02 -0.206871D+02
      5  -0.568782D+01 -0.231992D+01  0.628240D+01 -0.101155D+02  0.114090D+02
      6  -0.194406D+01  0.869474D-01 -0.232180D+01  0.435405D+01 -0.645209D+01
                 6             7             8             9            10 
      1   0.842950D+00  0.119270D+01  0.245657D+01 -0.335789D+01  0.929506D+01
      2   0.184822D+01 -0.103881D+01 -0.187964D+01 -0.458715D+01 -0.234724D+01
      3  -0.269117D+01 -0.153894D+00 -0.576932D+00  0.794505D+01 -0.694782D+01
      4   0.120089D+02 -0.705648D+01  0.471964D+01 -0.580696D+01 -0.359485D+01
      5  -0.712023D+01  0.118740D+02 -0.632947D+01  0.885661D+01  0.620599D+01
      6   0.120326D+02 -0.154979D+01  0.757709D+01 -0.659451D+01  0.257619D+01
                11            12            13            14            15 
      1   0.159880D+01 -0.175075D+01  0.385578D+01 -0.102796D+01  0.597545D+01
      2   0.864944D+00 -0.966893D+00  0.223129D+01  0.117216D+00 -0.109062D+02
      3  -0.246374D+01  0.271764D+01 -0.608706D+01  0.910748D+00  0.493077D+01
      4  -0.128596D+02  0.425857D+01 -0.226290D+02 -0.337131D+01 -0.173171D+02
      5   0.493894D+01 -0.157468D+02  0.133225D+02 -0.165510D+02 -0.142390D+02
      6   0.994025D+00 -0.175801D+01 -0.509945D+01 -0.511168D+01 -0.143224D+02
                16            17            18            19            20 
      1   0.118687D+02  0.735899D+01 -0.228527D+01  0.636036D+02 -0.915142D+01
      2  -0.969677D+01 -0.322447D+01  0.509345D+01 -0.332229D+02  0.366862D+01
      3  -0.217190D+01 -0.413453D+01 -0.280818D+01 -0.303807D+02  0.548280D+01
      4   0.133760D+02 -0.956602D+01 -0.199756D+02 -0.227790D+02  0.112238D+02
      5  -0.273601D+02 -0.185141D+02  0.348046D+00  0.143377D+02 -0.313751D+01
      6  -0.115937D+02 -0.116674D+02  0.179071D+00 -0.219298D+01  0.138499D+01
                21            22            23            24            25 
      1   0.400283D+01  0.138588D+00  0.378020D+01  0.419579D-01 -0.107668D+01
      2  -0.329949D+01 -0.161135D+01 -0.699579D+00 -0.895911D-01 -0.160467D+00
      3  -0.703344D+00  0.147276D+01 -0.308062D+01  0.476332D-01  0.123715D+01
      4  -0.261704D+01  0.782864D+01 -0.372169D+01  0.304816D+00  0.107390D+01
      5   0.866252D+01  0.134993D+00  0.832782D+00 -0.475157D+00  0.650298D+01
      6  -0.191606D+01  0.143149D+01 -0.168659D+00  0.148265D+01 -0.133357D+01
                26            27            28            29            30 
      1   0.754730D+00  0.313337D+01  0.320651D+01  0.221725D+01  0.306255D+01
      2   0.179986D+00 -0.263280D+01 -0.203712D+01 -0.950737D+00 -0.157301D+01
      3  -0.934717D+00 -0.500572D+00 -0.116939D+01 -0.126652D+01 -0.148954D+01
      4  -0.403167D+00 -0.191174D+01  0.753319D+01  0.902116D+01  0.371300D+01
      5  -0.158941D+01  0.241347D+01  0.607226D+01  0.366082D+01  0.994152D+01
      6   0.105236D+01 -0.258112D+00  0.445037D+01  0.168077D+01  0.249506D+01
                31            32            33            34            35 
      1   0.230426D+01 -0.694892D+01 -0.542008D+01  0.165166D+01 -0.604930D+01
      2  -0.927091D+00  0.756466D+01  0.372888D+01 -0.192747D+01  0.161041D+01
      3  -0.137717D+01 -0.615732D+00  0.169120D+01  0.275811D+00  0.443889D+01
      4   0.113156D+02  0.182148D+02  0.112382D+02  0.525567D+01  0.117209D+02
      5   0.522402D+01  0.107320D+02  0.127952D+02  0.128887D+02  0.114271D+02
      6   0.417148D+01  0.126235D+02  0.121853D+02  0.544446D+01  0.120577D+02
                36            37            38            39            40 
      1  -0.803811D+01 -0.593322D+02 -0.165377D+02  0.553503D+01 -0.145441D+02
      2  -0.337988D+01  0.235228D+02  0.122010D+02  0.109119D+01  0.792596D+01
      3   0.114180D+02  0.358094D+02  0.433667D+01 -0.662622D+01  0.661814D+01
      4   0.122264D+02 -0.201544D+02  0.898822D+01 -0.335303D+01  0.112806D+02
      5   0.178652D+02  0.686156D+01 -0.869177D+00  0.131232D+02 -0.629644D+01
      6   0.133107D+02  0.873013D+00 -0.760793D+01  0.485216D+01 -0.536275D+01
                41            42            43            44            45 
      1   0.216751D+02 -0.183397D+01 -0.599784D+01 -0.296891D+01  0.110421D+02
      2  -0.135928D+02  0.154522D+02  0.906650D+01  0.125302D+02 -0.473827D+01
      3  -0.808236D+01 -0.136182D+02 -0.306866D+01 -0.956132D+01 -0.630387D+01
      4  -0.580489D+01  0.124094D+02 -0.126618D+02  0.814402D+01  0.193821D+02
      5   0.797377D+01  0.156234D+02  0.238960D+02  0.173057D+02 -0.552906D+01
      6   0.691603D+01 -0.429900D+01  0.977825D+01 -0.222479D+00 -0.105182D+02
                46            47            48            49            50 
      1  -0.174605D+02 -0.880387D+00 -0.241408D+01  0.278493D+01 -0.620246D+01
      2   0.539320D+01  0.350200D+00 -0.233034D+00 -0.411360D+01  0.112654D+02
      3   0.120673D+02  0.530186D+00  0.264711D+01  0.132867D+01 -0.506293D+01
      4   0.104000D+02  0.430570D+01  0.468428D-01 -0.820542D+01 -0.326705D+01
      5  -0.767640D+01 -0.718387D+00 -0.158591D+00 -0.530582D+01  0.124196D+01
      6  -0.322656D+01  0.658470D+00  0.564472D+00 -0.255327D+01  0.486535D+01
                51            52            53            54            55 
      1  -0.328233D+00 -0.811581D+01 -0.182891D+01 -0.876327D+01 -0.808523D+00
      2   0.655062D+01  0.159897D+00  0.309678D+01 -0.249573D+01  0.281006D+01
      3  -0.622238D+01  0.795591D+01 -0.126788D+01  0.112590D+02 -0.200153D+01
      4   0.849633D+00 -0.586790D+01  0.207055D+00  0.277498D+01  0.159477D+01
      5   0.165368D+01  0.494580D+01  0.222562D+01 -0.654101D+00  0.935267D+00
      6  -0.141971D+01 -0.530745D+00  0.746630D+01 -0.295206D+01 -0.265591D+01
                56            57            58            59            60 
      1   0.991751D+01 -0.517605D+01  0.103945D+02 -0.232639D+02  0.967909D+01
      2  -0.867137D+01  0.167789D+01 -0.666015D+01  0.262306D+02 -0.638081D+01
      3  -0.124614D+01  0.349815D+01 -0.373431D+01 -0.296679D+01 -0.329829D+01
      4  -0.268333D+01  0.125405D+01  0.304686D+01  0.222976D+02 -0.893401D+01
      5  -0.354213D+00 -0.210507D+01 -0.386471D+01 -0.634818D+01  0.638954D+01
      6   0.567957D+01 -0.420428D+01  0.184437D+01 -0.183807D+02  0.119048D+02
                61            62            63            64            65 
      1  -0.228306D+01  0.709295D+01 -0.888369D+01  0.847811D+02  0.102503D+02
      2   0.565261D+00 -0.413224D+01  0.290695D+01 -0.413867D+02 -0.280237D+01
      3   0.171780D+01 -0.296071D+01  0.597673D+01 -0.433945D+02 -0.744794D+01
      4   0.789054D+00 -0.594579D+01  0.338419D+01  0.282126D+02  0.155512D+02
      5   0.115697D+01  0.324664D+01 -0.451582D+01 -0.227109D+02 -0.418477D+01
      6  -0.200404D+01  0.101477D+02 -0.628473D+01 -0.382176D+01 -0.304623D+01
                66            67            68            69            70 
      1  -0.260755D+01  0.716681D+01  0.522297D+01  0.348318D+00  0.769822D+01
      2   0.437357D+01 -0.138053D+01 -0.696502D+00 -0.945395D+00 -0.171470D+01
      3  -0.176602D+01 -0.578627D+01 -0.452647D+01  0.597077D+00 -0.598352D+01
      4  -0.266081D+01  0.144691D+02  0.753128D+01 -0.226429D+01  0.257692D+01
      5   0.137284D+02 -0.209064D+01 -0.312259D+01  0.828115D+00  0.858994D+01
      6   0.330435D+01 -0.210045D+01 -0.206934D+01  0.246803D+01  0.234295D+01
                71            72            73            74            75 
      1   0.769149D+00  0.522962D+01  0.364132D+01 -0.831615D+00 -0.556158D+01
      2  -0.604053D+00 -0.402945D+01 -0.309183D+01 -0.161644D+00  0.149051D+00
      3  -0.165096D+00 -0.120018D+01 -0.549489D+00  0.993259D+00  0.541253D+01
      4   0.991592D+00  0.819028D+00 -0.355027D+00 -0.120911D+01  0.280588D-01
      5   0.915770D-01 -0.283698D+00 -0.196579D+01  0.138656D+01 -0.553564D+00
      6   0.154526D+01  0.492306D+00  0.152930D+01  0.187448D+01 -0.271136D+00
                76            77            78            79            80 
      1  -0.474908D+01 -0.649607D+01 -0.571598D+01 -0.515533D+01 -0.375734D+01
      2   0.334210D+01 -0.411694D+00 -0.756066D+01  0.327414D+01 -0.619842D+01
      3   0.140697D+01  0.690777D+01  0.132766D+02  0.188119D+01  0.995576D+01
      4   0.490500D+00 -0.103330D+02 -0.954757D+01 -0.981327D-01 -0.959275D+01
      5   0.644415D+01 -0.769495D+01 -0.148025D+02  0.603797D+01 -0.714081D+01
      6   0.291577D-01  0.680793D+01  0.676939D+01 -0.277902D+00  0.668211D+01
                81            82            83            84            85 
      1  -0.133527D+02  0.188845D+01  0.180430D+02  0.599867D+01 -0.479175D+01
      2  -0.120613D+02 -0.372778D+01 -0.127693D+02 -0.399826D+00  0.121055D+02
      3   0.254140D+02  0.183933D+01 -0.527373D+01 -0.559885D+01 -0.731378D+01
      4  -0.905124D+01  0.810933D+01 -0.128135D+02 -0.632814D+00  0.229167D+01
      5  -0.199210D+02  0.421976D+01 -0.124788D+01 -0.207885D+01  0.331653D+01
      6   0.463530D+01  0.267470D+01 -0.220204D+01 -0.650546D+01  0.777767D+01
                86            87            88            89            90 
      1   0.612079D+00  0.429083D+01 -0.108374D+01  0.636196D+01 -0.141461D+02
      2  -0.388322D+01 -0.359745D+01  0.608418D+01 -0.872890D+01  0.185613D+01
      3   0.327115D+01 -0.693385D+00 -0.500043D+01  0.236693D+01  0.122900D+02
      4   0.140417D+02  0.266500D+01  0.261301D+01  0.116723D+00  0.341321D+01
      5   0.239886D+01  0.221439D+00  0.457661D+01  0.282380D+01 -0.105659D+01
      6  -0.572944D+01  0.549939D+01 -0.186858D+01  0.122074D+02  0.115855D+00
                91            92            93            94            95 
      1   0.604374D+01 -0.231113D+02 -0.322720D+01  0.231454D+02  0.111682D+02
      2  -0.456116D+01  0.155663D+02  0.108593D+01 -0.206584D+02 -0.131678D+02
      3  -0.148258D+01  0.754502D+01  0.214127D+01 -0.248707D+01  0.199953D+01
      4  -0.131696D+02 -0.514555D+01 -0.448784D+01  0.109803D+02 -0.939414D+00
      5  -0.664656D+01 -0.282109D+01 -0.282913D+01  0.582261D+00 -0.772886D+01
      6  -0.528026D+01 -0.164018D+01  0.421502D+01 -0.600749D+01 -0.118372D+02
                96            97            98            99           100 
      1   0.320561D+01  0.491858D+01 -0.103488D+01 -0.581218D+01 -0.826943D+01
      2  -0.773122D+01 -0.856517D+01 -0.804916D+01 -0.600975D+01  0.474301D+01
      3   0.452560D+01  0.364659D+01  0.908404D+01  0.118219D+02  0.352643D+01
      4  -0.717091D+01 -0.447000D+01 -0.106598D+02  0.131403D+02 -0.142977D+01
      5   0.118135D+02  0.128956D+02  0.134275D+02  0.103046D+02 -0.616332D+01
      6   0.538092D+01  0.483671D+01  0.132994D+02  0.390231D+01  0.334225D+00
               101           102           103           104           105 
      1  -0.191726D+01 -0.703935D+01  0.856111D+01 -0.207162D+02 -0.857278D+01
      2   0.168055D+01  0.303651D+01 -0.630191D+01  0.177803D+02  0.119585D+02
      3   0.236708D+00  0.400284D+01 -0.225920D+01  0.293588D+01 -0.338571D+01
      4   0.241916D+02  0.248916D+00 -0.207628D+02 -0.519870D+01 -0.466074D+01
      5  -0.307034D-01  0.201607D+02 -0.145302D+02 -0.177865D+01  0.633022D+00
      6   0.517329D+00  0.233606D+01 -0.350308D+01  0.482213D+01 -0.469487D+01
               106           107           108           109           110 
      1  -0.655253D+01 -0.933887D+01  0.127982D+02 -0.133120D+00  0.238349D+02
      2   0.119683D+01  0.677004D+01 -0.161696D+02 -0.293821D+01 -0.150875D+02
      3   0.535571D+01  0.256883D+01  0.337140D+01  0.307133D+01 -0.874732D+01
      4  -0.150192D+02 -0.700761D+00  0.295123D+00  0.171882D+02  0.457795D+01
      5   0.341421D+02  0.183977D+01  0.653279D+01 -0.412080D+00  0.221711D+01
      6   0.636952D+00  0.696818D+01 -0.504769D+01  0.162849D+01 -0.208146D+01
               111           112           113           114           115 
      1   0.644497D+01 -0.272161D+02  0.496450D+01  0.152391D+01 -0.975902D+01
      2   0.571148D+00  0.255829D+02 -0.784983D+01 -0.178166D+01  0.114014D+02
      3  -0.701612D+01  0.163314D+01  0.288533D+01  0.257756D+00 -0.164238D+01
      4   0.422292D+01  0.541232D+01  0.886322D+01  0.111590D+02  0.179073D+00
      5   0.564097D+01 -0.536185D+01  0.927491D+01 -0.125093D+02  0.189936D+02
      6  -0.717204D+01  0.850911D+01 -0.748767D+01  0.572898D+01 -0.591850D+01
               116           117           118           119           120 
      1   0.605247D+01  0.221786D+01  0.959263D+01 -0.130554D+02 -0.634270D-01
      2  -0.993523D+01 -0.861793D+01 -0.693447D+01  0.105642D+02 -0.194117D+01
      3   0.388276D+01  0.640007D+01 -0.265816D+01  0.249125D+01  0.200459D+01
      4   0.955922D+01 -0.135564D+02 -0.961734D+01 -0.196490D+02 -0.473882D+01
      5  -0.138290D+02 -0.105414D+02  0.184502D+01 -0.355280D+01 -0.537405D+01
      6   0.120164D+02 -0.516396D+00 -0.268612D+01 -0.265907D+01  0.524192D+01
               121           122           123           124           125 
      1   0.192824D+01  0.702948D+01  0.549711D+01  0.250676D+01  0.322287D+01
      2  -0.880919D+01 -0.943854D+01 -0.784269D+01 -0.497251D+01 -0.100683D+02
      3   0.688096D+01  0.240905D+01  0.234558D+01  0.246575D+01  0.684540D+01
      4   0.120570D+02 -0.129225D+02 -0.224278D+01 -0.428253D+00 -0.422936D+01
      5  -0.722597D+00 -0.266071D+01 -0.143377D+01  0.162179D+01 -0.573919D+01
      6  -0.631098D+01 -0.111778D+02  0.308393D+01  0.172076D+01  0.112063D+02
               126           127           128           129           130 
      1  -0.155876D+02 -0.418113D+01  0.782091D+01  0.991010D+00  0.856484D+01
      2  -0.110306D+01  0.623987D+01 -0.108966D+02 -0.116523D+01 -0.113172D+02
      3   0.166906D+02 -0.205874D+01  0.307572D+01  0.174217D+00  0.275233D+01
      4  -0.709606D+01 -0.823305D+01  0.774946D+01  0.106078D+01  0.759206D+01
      5  -0.571294D+01 -0.578761D+00  0.123720D+01  0.140407D+01  0.134293D+01
      6   0.454588D+01  0.883215D+00 -0.135633D+01 -0.225189D+01 -0.231167D+01
               131           132           133           134           135 
      1  -0.217990D+02 -0.355221D+01  0.139470D+01 -0.372935D+01 -0.735892D+00
      2   0.292747D+02  0.292491D+01 -0.202743D+01  0.471191D+01  0.131283D+01
      3  -0.747567D+01  0.627296D+00  0.632732D+00 -0.982568D+00 -0.576942D+00
      4  -0.839058D+01 -0.993261D+00  0.103833D+01 -0.123501D+01 -0.167172D+01
      5  -0.132766D+01 -0.138454D+01  0.110032D+01 -0.686476D+00 -0.682168D+00
      6   0.481356D+01  0.535333D+01 -0.104279D+01  0.190660D+01  0.119170D+01
               136           137           138           139           140 
      1   0.613498D+01  0.481937D+01  0.111779D+01 -0.243924D+00 -0.135019D+02
      2   0.255789D+01  0.479785D+01  0.321857D+00  0.102894D+02  0.333439D+02
      3  -0.869287D+01 -0.961722D+01 -0.143964D+01 -0.100455D+02 -0.198420D+02
      4   0.190347D+02  0.231902D+02  0.590116D+01  0.242385D+02  0.446516D+02
      5   0.518721D+01  0.587469D+01  0.534269D+01  0.611269D+01  0.104002D+02
      6   0.388454D+01  0.460963D+01  0.323550D+01  0.592968D+01  0.137125D+02
               141           142           143           144           145 
      1  -0.348468D+01  0.601457D+00 -0.264453D+01 -0.153798D+01  0.974289D+02
      2   0.533431D+01  0.197090D+01  0.729506D+01  0.258771D+01 -0.551329D+02
      3  -0.184963D+01 -0.257236D+01 -0.465053D+01 -0.104972D+01 -0.422960D+02
      4   0.106076D+02  0.705978D+01  0.123570D+02  0.394387D+01  0.913622D+01
      5   0.656765D+01  0.252923D+01  0.336977D+01  0.248090D+01  0.121593D+02
      6   0.936273D+01  0.231778D+01  0.493514D+01  0.358121D+01 -0.224075D+01
               146           147           148           149           150 
      1   0.639819D+01  0.782888D+01  0.472724D+01  0.881469D+01  0.203812D+01
      2  -0.314386D+01 -0.533915D+01 -0.215537D+01 -0.404771D+01 -0.178531D+01
      3  -0.325433D+01 -0.248973D+01 -0.257187D+01 -0.476698D+01 -0.252809D+00
      4   0.900078D+01  0.552558D+00  0.143371D+02  0.289449D+01  0.145293D+01
      5   0.624058D+00  0.105104D+02  0.399765D+01  0.167872D+01  0.124439D+01
      6   0.444527D+00  0.254325D+00  0.994324D+00 -0.112420D+00  0.160504D+01
               151           152           153           154           155 
      1   0.103555D+02  0.233130D+01  0.295393D+01  0.189806D+02 -0.120598D+02
      2  -0.583364D+01 -0.131083D+01 -0.181863D+01 -0.250664D+01 -0.208762D+01
      3  -0.452184D+01 -0.102047D+01 -0.113530D+01 -0.164740D+02  0.141474D+02
      4   0.434911D+01  0.157070D+01  0.781454D+00 -0.306931D+02  0.293939D+02
      5   0.261937D+01  0.488415D+00  0.180058D+01 -0.579827D+01  0.425443D+01
      6   0.845454D-01  0.593123D+00  0.577451D+00  0.213123D+01 -0.196727D+01
               156           157           158           159           160 
      1  -0.235592D+01 -0.793589D+01  0.186065D+01  0.501908D+00 -0.387669D+00
      2   0.636104D+00 -0.669354D+01  0.180883D+02  0.115685D+01 -0.168259D+01
      3   0.171982D+01  0.146294D+02 -0.199490D+02 -0.165875D+01  0.207026D+01
      4   0.419625D+01  0.323615D+02 -0.434326D+02 -0.780204D+01  0.546476D+01
      5   0.573621D+01  0.667384D+01 -0.816908D+01 -0.599449D+01  0.207602D+01
      6  -0.296113D+01 -0.424239D+01  0.618693D+01  0.613531D+01 -0.148906D+01
               161           162           163           164           165 
      1  -0.651935D+00 -0.290396D+00 -0.510592D+01 -0.822975D+01 -0.332999D+01
      2   0.364365D+01  0.115893D+01  0.615476D+01  0.950280D+01  0.233742D+01
      3  -0.299171D+01 -0.868533D+00 -0.104884D+01 -0.127305D+01  0.992572D+00
      4  -0.765880D+01 -0.263498D+01  0.414313D+01  0.709246D+01  0.160036D+01
      5  -0.192274D+01 -0.129157D+01  0.114812D+01  0.139201D+01  0.194928D+01
      6   0.227136D+01  0.195968D+01  0.308313D+01  0.462977D+01  0.286294D+01
               166           167           168           169           170 
      1  -0.787803D+01 -0.298656D+02 -0.927023D+01 -0.266476D+01 -0.862988D+01
      2   0.936212D+01  0.377075D+02  0.813235D+01  0.301224D+01  0.100602D+02
      3  -0.148409D+01 -0.784192D+01  0.113788D+01 -0.347474D+00 -0.143034D+01
      4   0.537680D+01  0.624821D+00 -0.430597D+00  0.182613D+01  0.604648D+00
      5   0.113618D+01 -0.560561D+00  0.189038D+00  0.112827D+01  0.555970D+00
      6   0.378253D+01  0.141284D+02  0.937988D+01  0.149697D+01  0.544528D+01
               171 
      1  -0.367493D+01
      2   0.363672D+01
      3   0.382150D-01
      4   0.154410D+01
      5   0.918428D+00
      6   0.402966D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:55:40 2021, MaxMem=  5368709120 cpu:           19764.7 elap:            2474.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27608 -10.35538 -10.30407 -10.29914 -10.29810
 Alpha  occ. eigenvalues --  -10.29747 -10.29667 -10.29432 -10.29299  -1.13395
 Alpha  occ. eigenvalues --   -0.96278  -0.88365  -0.84664  -0.82659  -0.73953
 Alpha  occ. eigenvalues --   -0.70310  -0.67220  -0.60750  -0.60003  -0.55251
 Alpha  occ. eigenvalues --   -0.54028  -0.52598  -0.52085  -0.50350  -0.47982
 Alpha  occ. eigenvalues --   -0.46950  -0.45065  -0.43945  -0.42065  -0.40912
 Alpha  occ. eigenvalues --   -0.36986  -0.32923  -0.32056
 Alpha virt. eigenvalues --    0.03367   0.04061   0.04550   0.05245   0.05535
 Alpha virt. eigenvalues --    0.05658   0.05838   0.06191   0.07465   0.07768
 Alpha virt. eigenvalues --    0.08464   0.08648   0.10791   0.11585   0.12666
 Alpha virt. eigenvalues --    0.13569   0.14015   0.14195   0.14733   0.14991
 Alpha virt. eigenvalues --    0.15271   0.15359   0.15647   0.15908   0.16686
 Alpha virt. eigenvalues --    0.17124   0.17760   0.18272   0.18618   0.19035
 Alpha virt. eigenvalues --    0.19535   0.19771   0.20179   0.21172   0.21457
 Alpha virt. eigenvalues --    0.22223   0.23728   0.25132   0.25360   0.25940
 Alpha virt. eigenvalues --    0.26610   0.26689   0.27699   0.28293   0.29024
 Alpha virt. eigenvalues --    0.29887   0.30472   0.30940   0.31257   0.31817
 Alpha virt. eigenvalues --    0.31980   0.32472   0.32948   0.33511   0.34203
 Alpha virt. eigenvalues --    0.35242   0.35415   0.36100   0.37204   0.37665
 Alpha virt. eigenvalues --    0.38190   0.38880   0.39194   0.40013   0.40231
 Alpha virt. eigenvalues --    0.41103   0.41929   0.42080   0.43766   0.44656
 Alpha virt. eigenvalues --    0.45388   0.46632   0.47325   0.48236   0.48901
 Alpha virt. eigenvalues --    0.49889   0.50286   0.51526   0.51963   0.52583
 Alpha virt. eigenvalues --    0.52877   0.53662   0.54710   0.55228   0.56400
 Alpha virt. eigenvalues --    0.57573   0.58157   0.58441   0.59238   0.60585
 Alpha virt. eigenvalues --    0.60804   0.61101   0.61960   0.62601   0.63321
 Alpha virt. eigenvalues --    0.64055   0.64608   0.64916   0.65815   0.66456
 Alpha virt. eigenvalues --    0.66689   0.67536   0.68334   0.68720   0.69638
 Alpha virt. eigenvalues --    0.70266   0.71149   0.72265   0.72911   0.73201
 Alpha virt. eigenvalues --    0.73803   0.74219   0.75040   0.75567   0.76569
 Alpha virt. eigenvalues --    0.77731   0.78465   0.80543   0.80989   0.81723
 Alpha virt. eigenvalues --    0.82573   0.84558   0.84761   0.85844   0.86344
 Alpha virt. eigenvalues --    0.86755   0.87001   0.87106   0.87971   0.89011
 Alpha virt. eigenvalues --    0.91136   0.91264   0.92451   0.93288   0.95547
 Alpha virt. eigenvalues --    0.95741   0.97335   0.98620   0.99575   1.01626
 Alpha virt. eigenvalues --    1.03123   1.04093   1.05531   1.06756   1.08248
 Alpha virt. eigenvalues --    1.10160   1.13520   1.14934   1.16652   1.19259
 Alpha virt. eigenvalues --    1.20164   1.21664   1.23666   1.26222   1.27964
 Alpha virt. eigenvalues --    1.31316   1.37516   1.38576   1.39262   1.39518
 Alpha virt. eigenvalues --    1.41011   1.42680   1.44178   1.45029   1.45943
 Alpha virt. eigenvalues --    1.47128   1.48575   1.49214   1.50745   1.51610
 Alpha virt. eigenvalues --    1.52554   1.53761   1.55065   1.55959   1.57995
 Alpha virt. eigenvalues --    1.58686   1.59291   1.60559   1.62430   1.63365
 Alpha virt. eigenvalues --    1.65265   1.67923   1.70078   1.71830   1.72755
 Alpha virt. eigenvalues --    1.74136   1.75432   1.76243   1.76936   1.79378
 Alpha virt. eigenvalues --    1.80001   1.80311   1.81629   1.82841   1.85227
 Alpha virt. eigenvalues --    1.86722   1.88280   1.89424   1.90657   1.91718
 Alpha virt. eigenvalues --    1.94049   1.94508   1.95265   1.95902   1.99338
 Alpha virt. eigenvalues --    2.00358   2.02444   2.03517   2.04060   2.05835
 Alpha virt. eigenvalues --    2.08604   2.09343   2.10480   2.13018   2.13833
 Alpha virt. eigenvalues --    2.15388   2.16347   2.18014   2.20107   2.20916
 Alpha virt. eigenvalues --    2.21576   2.22945   2.25551   2.26916   2.29980
 Alpha virt. eigenvalues --    2.32573   2.35386   2.37931   2.38181   2.40797
 Alpha virt. eigenvalues --    2.43317   2.44880   2.52352   2.54920   2.55955
 Alpha virt. eigenvalues --    2.58279   2.60780   2.61742   2.63944   2.65093
 Alpha virt. eigenvalues --    2.71295   2.74896   2.77626   2.81885   2.84918
 Alpha virt. eigenvalues --    2.86122   2.89292   2.91386   2.93406   2.96231
 Alpha virt. eigenvalues --    3.08472   3.10307   3.12985   3.16266   3.25191
 Alpha virt. eigenvalues --    3.45581   3.49617   3.55469   3.57331   3.60382
 Alpha virt. eigenvalues --    3.66115   3.72397   4.12490   4.59224
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.611531  -0.456689   0.327023  -0.040675   0.003608   0.008283
     2  C   -0.456689   9.483425  -0.022019  -0.639107   0.457369  -0.764642
     3  H    0.327023  -0.022019   0.608940  -0.031920  -0.034451   0.035235
     4  H   -0.040675  -0.639107  -0.031920   1.833577   0.058774   0.110277
     5  C    0.003608   0.457369  -0.034451   0.058774   4.325166   0.187885
     6  C    0.008283  -0.764642   0.035235   0.110277   0.187885  17.589683
     7  H   -0.002131   0.173739   0.015321  -0.085623   0.234426  -0.205554
     8  H    0.027247  -0.205818  -0.012543  -0.025881   0.178429   0.425851
     9  H    0.024627  -0.099660  -0.009849   0.093277   0.301486  -0.267102
    10  C    0.281809  -0.916763  -0.044202  -0.086333  -0.325034  -8.073269
    11  C   -0.047898  -0.189770   0.005490  -0.023362   0.211490   4.272792
    12  C    0.024365   0.102245  -0.000727   0.008687  -0.149804  -4.807502
    13  C   -0.054994  -0.277170   0.000980   0.053356   0.233651   4.241987
    14  C    0.048117  -1.569679  -0.017019   0.199738  -0.420888  -9.026746
    15  H   -0.095955   0.192508   0.003638   0.016166   0.037082   0.741033
    16  H   -0.000165   0.043098   0.000115   0.001266  -0.003817  -0.332061
    17  H    0.000745  -0.014680  -0.000023   0.000092  -0.000523   0.125063
    18  H   -0.001279   0.025197   0.000163   0.003235  -0.003071  -0.354875
    19  H    0.000766   0.028181  -0.002825  -0.026831   0.067705   0.867348
               7          8          9         10         11         12
     1  O   -0.002131   0.027247   0.024627   0.281809  -0.047898   0.024365
     2  C    0.173739  -0.205818  -0.099660  -0.916763  -0.189770   0.102245
     3  H    0.015321  -0.012543  -0.009849  -0.044202   0.005490  -0.000727
     4  H   -0.085623  -0.025881   0.093277  -0.086333  -0.023362   0.008687
     5  C    0.234426   0.178429   0.301486  -0.325034   0.211490  -0.149804
     6  C   -0.205554   0.425851  -0.267102  -8.073269   4.272792  -4.807502
     7  H    1.572994  -0.302155  -0.224146  -0.018280  -0.014117   0.005616
     8  H   -0.302155   1.645611  -0.343260  -0.046120   0.027296  -0.012133
     9  H   -0.224146  -0.343260   1.456223   0.106854  -0.058027   0.024403
    10  C   -0.018280  -0.046120   0.106854  19.521879  -6.434340   4.542933
    11  C   -0.014117   0.027296  -0.058027  -6.434340  13.798151  -5.032857
    12  C    0.005616  -0.012133   0.024403   4.542933  -5.032857  11.794013
    13  C    0.011272   0.017488  -0.026389  -5.285326   4.889915  -5.140117
    14  C    0.044938  -0.111613   0.156728   3.188848  -5.403615   4.696117
    15  H    0.013655   0.001285  -0.028172  -2.011871   0.747764  -0.261584
    16  H   -0.002034   0.001090  -0.001676   1.083929  -1.547583   0.562780
    17  H    0.000222  -0.000141   0.000812  -0.164731   0.655954  -1.319187
    18  H   -0.000895   0.000855  -0.001412   0.189557  -0.323377   0.620037
    19  H   -0.028196  -0.002963   0.017095  -0.153495   0.139414  -0.248549
              13         14         15         16         17         18
     1  O   -0.054994   0.048117  -0.095955  -0.000165   0.000745  -0.001279
     2  C   -0.277170  -1.569679   0.192508   0.043098  -0.014680   0.025197
     3  H    0.000980  -0.017019   0.003638   0.000115  -0.000023   0.000163
     4  H    0.053356   0.199738   0.016166   0.001266   0.000092   0.003235
     5  C    0.233651  -0.420888   0.037082  -0.003817  -0.000523  -0.003071
     6  C    4.241987  -9.026746   0.741033  -0.332061   0.125063  -0.354875
     7  H    0.011272   0.044938   0.013655  -0.002034   0.000222  -0.000895
     8  H    0.017488  -0.111613   0.001285   0.001090  -0.000141   0.000855
     9  H   -0.026389   0.156728  -0.028172  -0.001676   0.000812  -0.001412
    10  C   -5.285326   3.188848  -2.011871   1.083929  -0.164731   0.189557
    11  C    4.889915  -5.403615   0.747764  -1.547583   0.655954  -0.323377
    12  C   -5.140117   4.696117  -0.261584   0.562780  -1.319187   0.620037
    13  C   13.558576  -6.083791   0.194642  -0.355622   0.608620  -1.460748
    14  C   -6.083791  21.006092  -0.344028   0.191604  -0.218706   0.953097
    15  H    0.194642  -0.344028   2.848398  -0.163066  -0.022051   0.016980
    16  H   -0.355622   0.191604  -0.163066   2.285949  -0.117307  -0.027549
    17  H    0.608620  -0.218706  -0.022051  -0.117307   2.215747  -0.111170
    18  H   -1.460748   0.953097   0.016980  -0.027549  -0.111170   2.272895
    19  H    0.558798  -1.993005  -0.048424   0.014504  -0.022291  -0.169517
              19
     1  O    0.000766
     2  C    0.028181
     3  H   -0.002825
     4  H   -0.026831
     5  C    0.067705
     6  C    0.867348
     7  H   -0.028196
     8  H   -0.002963
     9  H    0.017095
    10  C   -0.153495
    11  C    0.139414
    12  C   -0.248549
    13  C    0.558798
    14  C   -1.993005
    15  H   -0.048424
    16  H    0.014504
    17  H   -0.022291
    18  H   -0.169517
    19  H    2.912151
 Mulliken charges:
               1
     1  O   -0.658336
     2  C    0.650233
     3  H    0.178674
     4  H   -0.418712
     5  C    0.640519
     6  C    1.226312
     7  H   -0.189052
     8  H   -0.262525
     9  H   -0.121811
    10  C    0.643954
    11  C    0.326680
    12  C    0.591264
    13  C    0.314872
    14  C    0.703813
    15  H   -0.837998
    16  H   -0.633455
    17  H   -0.616445
    18  H   -0.628123
    19  H   -0.909866
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.479661
     2  C    0.231521
     5  C    0.067132
     6  C    1.226312
    10  C   -0.194044
    11  C   -0.306774
    12  C   -0.025181
    13  C   -0.313251
    14  C   -0.206054
 Electronic spatial extent (au):  <R**2>=           1265.1655
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1287    Y=             -1.2095    Z=              0.6030  Tot=              1.7608
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -44.5053   YY=            -52.2044   ZZ=            -58.1617
   XY=              1.5238   XZ=              0.1020   YZ=              2.7554
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.1185   YY=             -0.5806   ZZ=             -6.5379
   XY=              1.5238   XZ=              0.1020   YZ=              2.7554
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.7800  YYY=              1.8822  ZZZ=             -1.1874  XYY=              1.9245
  XXY=              2.3639  XXZ=             -1.7543  XZZ=             -8.1326  YZZ=             -0.3735
  YYZ=              0.4646  XYZ=              0.9306
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -992.9793 YYYY=           -360.1371 ZZZZ=           -170.0410 XXXY=            -29.3161
 XXXZ=             30.9144 YYYX=             -5.9028 YYYZ=              8.5397 ZZZX=              4.0257
 ZZZY=             -0.5728 XXYY=           -247.3375 XXZZ=           -236.8602 YYZZ=            -94.3126
 XXYZ=              5.7746 YYXZ=              1.7547 ZZXY=              0.0090
 N-N= 4.258803634660D+02 E-N=-1.749499587974D+03  KE= 3.836922773552D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:55:41 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.53321986D-01-4.49613410D-01 2.20954456D-01
 Polarizability= 1.21709584D+02 1.23939462D+00 9.77839299D+01
                 1.42346116D+00 6.58963769D+00 6.53077565D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6661   -0.6662        0.5274    0.5253
 2      0.6661    0.6662       -3.1751   -3.1747      -12.3628  -12.3638
 3     -0.5274   -0.5253       28.2900   28.2895        3.1733    3.1747
 4      3.1751    3.1747       -0.0000    0.0000       -0.5278   -0.5253
 5    -15.9272  -15.9257        0.5278    0.5253       -0.6661   -0.6662
 6     -3.1733   -3.1747        0.6661    0.6662       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.9985    1.9985        1.5760    1.5760
 2      9.5240    9.5240        0.0000    0.0000        1.5760    1.5760
 3      9.5240    9.5240        1.9985    1.9985       -0.0000    0.0000
 4      1.9985    1.9985       -9.5240   -9.5240      -37.0913  -37.0913
 5     -1.5760   -1.5760       84.8685   84.8685        9.5240    9.5240
 6    -47.7772  -47.7772        1.5760    1.5760       -1.9985   -1.9985
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1616    0.0000        2.5798    2.6647       -2.1114   -2.1014
 2     -2.9223   -2.6647       12.8136   12.6987       49.9161   49.4550
 3      2.1131    2.1014     -113.1812 -113.1580      -12.7787  -12.6987
 4    -12.8759  -12.6987        0.0808    0.0000        1.9357    2.1014
 5     63.6289   63.7030       -2.0843   -2.1014        2.8340    2.6647
 6     12.8531   12.6987       -2.7914   -2.6647        0.0137    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0070    0.0000        0.7041    0.6406      -10.0579  -10.1004
 2     -0.7269   -0.6406      -41.1233  -41.1898      -29.2416  -29.0316
 3     10.2698   10.1004      -23.2404  -23.3314       41.3948   41.1898
 4     41.1158   41.1898        0.0276    0.0000        9.9365   10.1004
 5     52.6828   52.3629      -10.2133  -10.1004        1.2471    0.6406
 6    -40.9970  -41.1898       -0.6876   -0.6406        0.0405    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     17.9443   17.9968        2.4049    2.4056       20.0333   20.1480
 2     81.7814   82.0709       -5.2630   -5.2222       19.9558   20.1480
 3     81.8247   82.0709        2.3843    2.4056       18.1196   18.4269
 4      7.7599    7.6277      -63.9217  -64.0741      -37.8937  -37.8418
 5     -1.4405   -1.7211      -46.4570  -46.2720       63.9376   64.0741
 6     84.4704   84.1137        1.9986    1.7211       -6.9206   -7.6277
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6511   -1.4476   -0.6406    0.0002    0.0005    0.0010
 Low frequencies ---   33.5755  131.6374  217.9885
 Diagonal vibrational polarizability:
        7.4278117       8.9598661      77.3602705
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     33.5615               131.6371               217.9884
 Red. masses --      3.5907                 3.4745                 2.4037
 Frc consts  --      0.0024                 0.0355                 0.0673
 IR Inten    --      1.3167                 3.6066                 2.3221
 RamAct Fr= 1--      3.3753                 3.6239                 0.1764
  Dep-P Fr= 1--      0.7500                 0.7262                 0.4788
  Dep-U Fr= 1--      0.8571                 0.8414                 0.6476
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0010
 Beta2  Fr= 1--      0.4822                 0.5082                 0.0190
 AlphaG Fr= 1--     -0.0000                 0.0024                -0.0011
 Gamma2 Fr= 1--     -0.5598                -0.4896                -0.1105
 Delta2 Fr= 1--     -0.6424                -0.2165                -0.0401
 Raman1 Fr= 1--      13.501                 14.496                  0.706
 ROA1   Fr= 1--     -74.297                -53.929                -11.896
 CID1   Fr= 1--      -5.503                 -3.720                -16.857
 Raman2 Fr= 1--       5.786                  6.098                  0.229
 ROA2   Fr= 1--      -8.296                -10.018                 -2.332
 CID2   Fr= 1--      -1.434                 -1.643                -10.206
 Raman3 Fr= 1--      11.572                 12.196                  0.457
 ROA3   Fr= 1--     -74.297                -53.929                -11.896
 CID3   Fr= 1--      -6.420                 -4.422                -26.031
 RC180  Fr= 1--       0.714                  0.683                  0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.11   0.19    -0.12  -0.02   0.02     0.15   0.08   0.07
     2   6     0.00   0.05  -0.05    -0.01   0.02  -0.04    -0.02  -0.02  -0.01
     3   1    -0.02   0.07   0.15    -0.10  -0.04   0.24     0.14   0.23   0.14
     4   1     0.01   0.19  -0.19    -0.09  -0.02   0.01    -0.16   0.02  -0.02
     5   6     0.00  -0.21  -0.14     0.25   0.03   0.08    -0.00   0.06   0.03
     6   6     0.00   0.03  -0.02    -0.00   0.05  -0.18    -0.01  -0.13  -0.06
     7   1     0.01  -0.26  -0.32     0.34   0.06   0.03    -0.32  -0.14  -0.15
     8   1     0.01  -0.20  -0.17     0.23  -0.02   0.30    -0.07   0.48   0.18
     9   1    -0.01  -0.36  -0.01     0.37   0.06   0.02     0.39  -0.11   0.08
    10   6     0.03   0.06  -0.16    -0.00   0.04  -0.14    -0.09  -0.09  -0.06
    11   6     0.03   0.04  -0.15    -0.02  -0.03   0.06    -0.12   0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.04  -0.07   0.20    -0.05   0.07   0.03
    13   6    -0.03  -0.04   0.15    -0.04  -0.03   0.06     0.05   0.03   0.01
    14   6    -0.03  -0.02   0.14    -0.02   0.03  -0.14     0.06  -0.08  -0.04
    15   1     0.05   0.09  -0.27     0.01   0.05  -0.19    -0.16  -0.14  -0.09
    16   1     0.06   0.06  -0.26    -0.01  -0.05   0.14    -0.20   0.05  -0.00
    17   1     0.00  -0.03   0.02    -0.06  -0.13   0.39    -0.06   0.14   0.08
    18   1    -0.05  -0.08   0.27    -0.05  -0.06   0.14     0.12   0.08   0.04
    19   1    -0.05  -0.04   0.25    -0.03   0.05  -0.19     0.14  -0.12  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    258.1857               272.1735               307.8811
 Red. masses --      1.0669                 1.3228                 3.0656
 Frc consts  --      0.0419                 0.0577                 0.1712
 IR Inten    --     96.3890                 8.1811                 1.1234
 RamAct Fr= 1--      1.3447                 0.1892                 1.5149
  Dep-P Fr= 1--      0.7242                 0.7426                 0.1969
  Dep-U Fr= 1--      0.8400                 0.8523                 0.3290
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0207
 Beta2  Fr= 1--      0.1883                 0.0269                 0.0831
 AlphaG Fr= 1--     -0.0023                 0.0003                -0.0013
 Gamma2 Fr= 1--      0.5364                 0.2530                -0.4013
 Delta2 Fr= 1--      0.1981                -0.0773                -0.0052
 Raman1 Fr= 1--       5.379                  0.757                  6.060
 ROA1   Fr= 1--      57.834                 21.811                -38.692
 CID1   Fr= 1--      10.752                 28.817                 -6.385
 Raman2 Fr= 1--       2.259                  0.323                  0.997
 ROA2   Fr= 1--      11.288                  6.690                 -9.589
 CID2   Fr= 1--       4.997                 20.742                 -9.620
 Raman3 Fr= 1--       4.518                  0.645                  1.994
 ROA3   Fr= 1--      57.834                 21.811                -38.692
 CID3   Fr= 1--      12.800                 33.811                -19.407
 RC180  Fr= 1--       0.680                  0.705                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.02  -0.03    -0.06  -0.05  -0.07     0.07   0.06  -0.09
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.02   0.04  -0.09
     3   1     0.03   0.29   0.92    -0.04  -0.01   0.20     0.08   0.18   0.09
     4   1    -0.00  -0.01  -0.00     0.05  -0.03   0.01    -0.00   0.06  -0.10
     5   6    -0.04   0.02  -0.02     0.02  -0.02  -0.01     0.24  -0.03  -0.03
     6   6     0.01  -0.01   0.00     0.00   0.04   0.03    -0.03  -0.01   0.02
     7   1     0.03   0.08   0.07    -0.35  -0.28  -0.33     0.52   0.09  -0.07
     8   1    -0.02  -0.10  -0.09    -0.06   0.48   0.15     0.25  -0.28   0.16
     9   1    -0.16   0.08  -0.05     0.47  -0.31   0.15     0.23   0.03  -0.08
    10   6     0.01  -0.01  -0.00     0.03   0.03   0.05    -0.08  -0.03   0.14
    11   6     0.00   0.00  -0.00     0.04   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01   0.00     0.02  -0.01  -0.03    -0.08   0.03  -0.14
    13   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.07  -0.02   0.03
    14   6     0.02  -0.01   0.00    -0.02   0.03   0.04    -0.08  -0.05   0.14
    15   1    -0.00  -0.01  -0.01     0.05   0.04   0.07    -0.11  -0.06   0.21
    16   1    -0.00   0.01  -0.01     0.07  -0.01  -0.00    -0.07  -0.01   0.04
    17   1     0.01   0.01  -0.00     0.02  -0.03  -0.07    -0.06   0.07  -0.33
    18   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.06  -0.02   0.04
    19   1     0.03  -0.01  -0.00    -0.05   0.04   0.04    -0.11  -0.07   0.23
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.0551               413.8222               482.0566
 Red. masses --      4.2985                 2.9661                 3.3005
 Frc consts  --      0.3582                 0.2993                 0.4519
 IR Inten    --      6.2454                 0.2157                 1.6721
 RamAct Fr= 1--      1.4923                 0.0089                 3.1534
  Dep-P Fr= 1--      0.4855                 0.6592                 0.0895
  Dep-U Fr= 1--      0.6537                 0.7946                 0.1643
 Alpha2 Fr= 1--      0.0079                 0.0000                 0.0566
 Beta2  Fr= 1--      0.1626                 0.0012                 0.0863
 AlphaG Fr= 1--     -0.0054                -0.0009                 0.0002
 Gamma2 Fr= 1--      0.1888                -0.1216                 0.1920
 Delta2 Fr= 1--     -0.0022                -0.0211                -0.0810
 Raman1 Fr= 1--       5.969                  0.036                 12.613
 ROA1   Fr= 1--      18.050                -12.345                 15.842
 CID1   Fr= 1--       3.024               -344.944                  1.256
 Raman2 Fr= 1--       1.951                  0.014                  1.036
 ROA2   Fr= 1--       4.548                 -2.749                  5.257
 CID2   Fr= 1--       2.331               -193.366                  5.073
 Raman3 Fr= 1--       3.902                  0.028                  2.072
 ROA3   Fr= 1--      18.050                -12.345                 15.842
 CID3   Fr= 1--       4.626               -434.110                  7.645
 RC180  Fr= 1--       0.307                  0.589                 -0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.05  -0.11    -0.00   0.00   0.01     0.06  -0.14   0.18
     2   6     0.06  -0.04   0.13     0.01  -0.00  -0.00     0.17  -0.11  -0.08
     3   1     0.27   0.28   0.11    -0.00  -0.02  -0.01     0.07  -0.27   0.14
     4   1     0.12  -0.10   0.17     0.02  -0.00  -0.01     0.24  -0.08  -0.12
     5   6    -0.01  -0.15   0.09     0.00   0.01  -0.01     0.03   0.12  -0.12
     6   6    -0.02   0.08   0.10     0.00  -0.00  -0.00     0.06   0.07  -0.03
     7   1     0.04  -0.17  -0.05     0.00   0.01   0.01    -0.27   0.10   0.22
     8   1     0.01  -0.22   0.01     0.00   0.01  -0.01     0.00   0.38  -0.27
     9   1    -0.08  -0.28   0.22    -0.01   0.02  -0.02     0.04   0.32  -0.30
    10   6    -0.02   0.13  -0.06    -0.02  -0.05   0.21    -0.03   0.10   0.02
    11   6    -0.02   0.05  -0.06     0.02   0.05  -0.20    -0.04   0.03   0.04
    12   6    -0.12  -0.05   0.10    -0.00   0.00  -0.00    -0.11  -0.02  -0.05
    13   6    -0.13  -0.00  -0.06    -0.02  -0.05   0.20    -0.08  -0.05  -0.00
    14   6    -0.11   0.08  -0.09     0.02   0.05  -0.20    -0.06   0.01   0.01
    15   1    -0.00   0.16  -0.16    -0.05  -0.11   0.44    -0.06   0.07   0.04
    16   1     0.06   0.03  -0.13     0.04   0.11  -0.44     0.05  -0.02   0.08
    17   1    -0.13  -0.14   0.22    -0.00   0.00  -0.01    -0.11  -0.04  -0.09
    18   1    -0.15  -0.00  -0.12    -0.04  -0.11   0.44    -0.07  -0.05   0.03
    19   1    -0.19   0.16  -0.21     0.04   0.11  -0.43    -0.17   0.05   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    544.1089               612.4865               638.1807
 Red. masses --      3.1831                 3.5630                 6.3810
 Frc consts  --      0.5552                 0.7875                 1.5312
 IR Inten    --     11.8020                14.4152                 0.1608
 RamAct Fr= 1--      0.7663                 0.8614                 4.3331
  Dep-P Fr= 1--      0.2044                 0.7474                 0.7462
  Dep-U Fr= 1--      0.3395                 0.8554                 0.8546
 Alpha2 Fr= 1--      0.0103                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0434                 0.1228                 0.6172
 AlphaG Fr= 1--     -0.0026                 0.0005                -0.0029
 Gamma2 Fr= 1--      0.0547                 0.1029                -0.0133
 Delta2 Fr= 1--     -0.0551                 0.0693                -0.0337
 Raman1 Fr= 1--       3.065                  3.445                 17.332
 ROA1   Fr= 1--       3.490                 12.101                 -2.356
 CID1   Fr= 1--       1.138                  3.512                 -0.136
 Raman2 Fr= 1--       0.520                  1.474                  7.406
 ROA2   Fr= 1--       1.754                  1.916                 -0.049
 CID2   Fr= 1--       3.371                  1.300                 -0.007
 Raman3 Fr= 1--       1.041                  2.947                 14.813
 ROA3   Fr= 1--       3.490                 12.101                 -2.356
 CID3   Fr= 1--       3.354                  4.106                 -0.159
 RC180  Fr= 1--      -0.321                  0.711                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.03   0.00    -0.10   0.04  -0.07    -0.00   0.03  -0.01
     2   6     0.05   0.05  -0.04     0.17   0.18   0.16     0.00   0.01   0.02
     3   1    -0.07  -0.15   0.03    -0.07  -0.24   0.03    -0.00   0.04   0.01
     4   1     0.16   0.10  -0.11     0.17   0.10   0.23     0.02   0.01   0.02
     5   6     0.09   0.06  -0.09    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     6   6     0.01  -0.08   0.27     0.17  -0.02  -0.03    -0.01   0.14   0.03
     7   1     0.12   0.08  -0.08    -0.08  -0.10  -0.18    -0.00  -0.01  -0.01
     8   1     0.08   0.07   0.00     0.03  -0.04  -0.35    -0.01  -0.01   0.01
     9   1     0.16   0.09  -0.14    -0.29  -0.26   0.33    -0.02  -0.03   0.04
    10   6    -0.03  -0.02   0.04    -0.01   0.03  -0.03    -0.26   0.19   0.01
    11   6    -0.03   0.03  -0.13    -0.06   0.08   0.05    -0.23  -0.25  -0.07
    12   6    -0.06  -0.04   0.18    -0.17   0.02  -0.06     0.01  -0.14  -0.05
    13   6     0.03   0.00  -0.13     0.02  -0.11   0.01     0.28  -0.22  -0.02
    14   6     0.01  -0.06   0.03     0.04  -0.17  -0.07     0.22   0.22   0.06
    15   1    -0.05   0.01  -0.26    -0.18  -0.11   0.01    -0.13   0.27   0.06
    16   1     0.01   0.11  -0.46     0.00   0.01   0.17    -0.07  -0.33  -0.04
    17   1    -0.07  -0.02   0.21    -0.17   0.05  -0.03    -0.04   0.28   0.06
    18   1     0.10   0.11  -0.46     0.18  -0.02   0.16     0.14  -0.32  -0.02
    19   1     0.03   0.02  -0.25    -0.05  -0.15   0.01     0.06   0.28   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0894               771.8462               778.9327
 Red. masses --      1.7591                 2.3856                 2.4142
 Frc consts  --      0.5285                 0.8373                 0.8630
 IR Inten    --     43.4969                25.5991                 7.1912
 RamAct Fr= 1--      0.1322                 8.4763                 8.7335
  Dep-P Fr= 1--      0.3592                 0.0461                 0.0720
  Dep-U Fr= 1--      0.5286                 0.0881                 0.1343
 Alpha2 Fr= 1--      0.0011                 0.1690                 0.1637
 Beta2  Fr= 1--      0.0116                 0.1244                 0.1955
 AlphaG Fr= 1--      0.0002                -0.0443                 0.0141
 Gamma2 Fr= 1--     -0.0314                 0.5986                 0.8344
 Delta2 Fr= 1--      0.0114                 0.3054                 0.1213
 Raman1 Fr= 1--       0.529                 33.905                 34.934
 ROA1   Fr= 1--      -2.648                 67.240                 83.987
 CID1   Fr= 1--      -5.006                  1.983                  2.404
 Raman2 Fr= 1--       0.140                  1.493                  2.346
 ROA2   Fr= 1--      -0.845                 11.924                 19.056
 CID2   Fr= 1--      -6.042                  7.985                  8.121
 Raman3 Fr= 1--       0.280                  2.987                  4.693
 ROA3   Fr= 1--      -2.648                 67.240                 83.987
 CID3   Fr= 1--      -9.471                 22.514                 17.897
 RC180  Fr= 1--       0.057                 -0.824                 -0.731
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.02   0.04  -0.01
     2   6     0.00  -0.00   0.00     0.06   0.05   0.06    -0.10  -0.08  -0.08
     3   1     0.00   0.00   0.01     0.01  -0.12   0.03    -0.03   0.16  -0.04
     4   1    -0.02  -0.01   0.02     0.15   0.03   0.06    -0.03   0.03  -0.20
     5   6    -0.00  -0.00   0.00     0.05   0.05  -0.07    -0.05  -0.04   0.02
     6   6     0.01   0.03  -0.10    -0.06  -0.05   0.17     0.04  -0.03   0.14
     7   1    -0.02  -0.01   0.00     0.06   0.03  -0.15     0.07   0.05   0.15
     8   1     0.00   0.00  -0.03     0.07   0.02  -0.15    -0.09  -0.04   0.41
     9   1    -0.03  -0.01   0.02    -0.00  -0.03   0.01     0.22   0.14  -0.20
    10   6    -0.01  -0.01   0.07    -0.02  -0.08  -0.10     0.04   0.12  -0.02
    11   6     0.01   0.04  -0.14    -0.04  -0.09  -0.02     0.05   0.12   0.04
    12   6    -0.01  -0.02   0.07     0.09   0.04  -0.11    -0.09   0.01  -0.10
    13   6     0.01   0.03  -0.14    -0.05   0.08   0.03     0.05  -0.09  -0.02
    14   6    -0.01  -0.02   0.07    -0.03   0.07  -0.07     0.05  -0.06  -0.07
    15   1    -0.05  -0.10   0.48     0.01  -0.07   0.01    -0.02   0.08  -0.01
    16   1    -0.01  -0.05   0.19    -0.22  -0.15   0.44     0.17  -0.03   0.35
    17   1    -0.06  -0.14   0.55     0.03  -0.09   0.48    -0.13  -0.12   0.35
    18   1    -0.02  -0.06   0.21    -0.18  -0.10   0.46     0.13  -0.11   0.37
    19   1    -0.05  -0.13   0.50     0.02   0.01   0.06    -0.03  -0.06   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    859.6268               906.9440               927.8562
 Red. masses --      1.2499                 2.3304                 1.4043
 Frc consts  --      0.5442                 1.1294                 0.7123
 IR Inten    --      0.1331                19.8627                 4.2069
 RamAct Fr= 1--      1.9946                 3.9757                 1.5802
  Dep-P Fr= 1--      0.7380                 0.7454                 0.4105
  Dep-U Fr= 1--      0.8492                 0.8541                 0.5820
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0113
 Beta2  Fr= 1--      0.2823                 0.5660                 0.1533
 AlphaG Fr= 1--      0.0011                -0.0032                -0.0144
 Gamma2 Fr= 1--     -0.2099                -1.3066                -1.2282
 Delta2 Fr= 1--     -0.0562                -1.1848                 0.0309
 Raman1 Fr= 1--       7.978                 15.903                  6.321
 ROA1   Fr= 1--     -21.953               -163.344               -116.917
 CID1   Fr= 1--      -2.752                -10.271                -18.498
 Raman2 Fr= 1--       3.388                  6.791                  1.839
 ROA2   Fr= 1--      -4.588                -21.879                -29.724
 CID2   Fr= 1--      -1.354                 -3.222                -16.160
 Raman3 Fr= 1--       6.775                 13.583                  3.679
 ROA3   Fr= 1--     -21.953               -163.344               -116.917
 CID3   Fr= 1--      -3.240                -12.026                -31.781
 RC180  Fr= 1--       0.698                  0.708                  0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.05   0.14  -0.06     0.01  -0.02   0.01
     2   6     0.00  -0.00   0.00     0.16  -0.05  -0.07    -0.01   0.01  -0.01
     3   1    -0.00  -0.00  -0.00    -0.03  -0.10   0.06     0.01   0.01  -0.01
     4   1     0.00   0.01  -0.00     0.25   0.13  -0.24    -0.09  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.01  -0.14   0.13     0.00   0.01   0.01
     6   6     0.00  -0.00   0.00     0.04   0.01   0.00    -0.00   0.01  -0.07
     7   1    -0.01  -0.00   0.01    -0.34  -0.13   0.67    -0.01  -0.02  -0.05
     8   1     0.00   0.00  -0.01    -0.05   0.20   0.03     0.02  -0.01  -0.09
     9   1    -0.00  -0.00  -0.00    -0.01   0.18  -0.16    -0.07  -0.05   0.08
    10   6    -0.01  -0.02   0.06    -0.01  -0.04  -0.00    -0.01  -0.01   0.08
    11   6    -0.01  -0.02   0.08    -0.03  -0.06  -0.02     0.00   0.00   0.03
    12   6     0.00  -0.00   0.01     0.03   0.01  -0.01     0.01   0.02  -0.10
    13   6     0.01   0.02  -0.07    -0.05   0.05   0.00     0.01   0.00  -0.03
    14   6     0.01   0.02  -0.08    -0.02   0.02   0.02    -0.01  -0.03   0.11
    15   1     0.04   0.10  -0.43    -0.01  -0.04  -0.08     0.04   0.11  -0.42
    16   1     0.05   0.12  -0.51    -0.10  -0.03  -0.00     0.03   0.05  -0.19
    17   1     0.01   0.02  -0.07     0.02  -0.03   0.09    -0.06  -0.14   0.58
    18   1    -0.05  -0.12   0.45    -0.11   0.02   0.01    -0.00  -0.04   0.13
    19   1    -0.05  -0.13   0.51    -0.01   0.05  -0.07     0.06   0.14  -0.55
                     19                     20                     21
                      A                      A                      A
 Frequencies --    963.9874               984.8874              1020.1609
 Red. masses --      1.3182                 1.2729                 2.0420
 Frc consts  --      0.7217                 0.7275                 1.2521
 IR Inten    --      0.0681                 0.9658                 6.3733
 RamAct Fr= 1--      0.0387                 0.3021                24.5946
  Dep-P Fr= 1--      0.4869                 0.1858                 0.1448
  Dep-U Fr= 1--      0.6549                 0.3134                 0.2530
 Alpha2 Fr= 1--      0.0002                 0.0043                 0.3853
 Beta2  Fr= 1--      0.0042                 0.0158                 1.0369
 AlphaG Fr= 1--      0.0023                 0.0011                -0.0429
 Gamma2 Fr= 1--      0.2106                 0.2288                 2.9335
 Delta2 Fr= 1--     -0.0650                -0.0740                 2.9328
 Raman1 Fr= 1--       0.155                  1.208                 98.378
 ROA1   Fr= 1--      18.133                 19.599                375.469
 CID1   Fr= 1--     117.136                 16.221                  3.817
 Raman2 Fr= 1--       0.051                  0.189                 12.443
 ROA2   Fr= 1--       5.574                  6.084                 46.942
 CID2   Fr= 1--     109.951                 32.135                  3.773
 Raman3 Fr= 1--       0.101                  0.379                 24.886
 ROA3   Fr= 1--      18.133                 19.599                375.469
 CID3   Fr= 1--     178.851                 51.763                 15.088
 RC180  Fr= 1--       0.310                 -0.373                 -0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.08   0.02
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.04   0.14  -0.08
     3   1     0.00  -0.01   0.00     0.00   0.00  -0.01     0.06  -0.30   0.10
     4   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.28   0.18  -0.20
     5   6    -0.01  -0.00   0.00     0.00   0.00   0.01    -0.15   0.00   0.04
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.05   0.03  -0.02
     7   1     0.01   0.01  -0.00    -0.01  -0.01  -0.01     0.26   0.12  -0.16
     8   1    -0.01  -0.00   0.03     0.01  -0.00  -0.04    -0.17  -0.22   0.62
     9   1     0.01   0.01  -0.01    -0.03  -0.01   0.03     0.19  -0.05   0.02
    10   6     0.01   0.01  -0.07    -0.01  -0.01   0.09     0.06  -0.10  -0.00
    11   6    -0.00  -0.01   0.03     0.01   0.03  -0.10    -0.03  -0.04  -0.02
    12   6    -0.01  -0.01   0.06     0.00  -0.01   0.06    -0.09   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.01  -0.03    -0.01   0.02   0.00
    14   6    -0.01  -0.02   0.07    -0.00  -0.00   0.00     0.03   0.06   0.02
    15   1    -0.03  -0.08   0.34     0.04   0.13  -0.57     0.08  -0.08  -0.08
    16   1     0.01   0.03  -0.12    -0.06  -0.15   0.63    -0.08  -0.03  -0.01
    17   1     0.03   0.09  -0.36     0.04   0.09  -0.37    -0.10   0.06   0.03
    18   1    -0.06  -0.16   0.65    -0.02  -0.06   0.21     0.01   0.04  -0.01
    19   1     0.04   0.12  -0.47     0.01   0.02  -0.09    -0.01   0.08   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.6378              1054.6141              1090.9288
 Red. masses --      4.7182                 2.1823                 1.7555
 Frc consts  --      2.9300                 1.4300                 1.2309
 IR Inten    --      1.2324                 5.9732                29.0194
 RamAct Fr= 1--     36.7368                20.2337                 0.5055
  Dep-P Fr= 1--      0.0496                 0.0354                 0.6623
  Dep-U Fr= 1--      0.0945                 0.0684                 0.7969
 Alpha2 Fr= 1--      0.7263                 0.4137                 0.0008
 Beta2  Fr= 1--      0.5789                 0.2308                 0.0671
 AlphaG Fr= 1--      0.0472                -0.0002                -0.0025
 Gamma2 Fr= 1--     -1.6729                -0.4146                -0.6412
 Delta2 Fr= 1--     -0.7224                -0.3243                -0.7498
 Raman1 Fr= 1--     146.947                 80.935                  2.022
 ROA1   Fr= 1--    -183.711                -50.175                -85.547
 CID1   Fr= 1--      -1.250                 -0.620                -42.312
 Raman2 Fr= 1--       6.946                  2.770                  0.806
 ROA2   Fr= 1--     -34.369                 -7.356                 -9.390
 CID2   Fr= 1--      -4.948                 -2.656                -11.656
 Raman3 Fr= 1--      13.893                  5.539                  1.611
 ROA3   Fr= 1--    -183.711                -50.175                -85.547
 CID3   Fr= 1--     -13.224                 -9.058                -53.097
 RC180  Fr= 1--      -0.811                 -0.863                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.01    -0.01   0.01  -0.00     0.01  -0.05  -0.00
     2   6     0.04   0.09  -0.05    -0.01  -0.03   0.01    -0.05   0.08   0.07
     3   1     0.05  -0.21   0.07    -0.01   0.05  -0.02    -0.01   0.23  -0.07
     4   1     0.15   0.14  -0.13    -0.07  -0.06   0.05     0.10   0.14  -0.02
     5   6    -0.09   0.00   0.03     0.01   0.01  -0.01     0.04  -0.07  -0.04
     6   6     0.04   0.02  -0.01     0.02  -0.00   0.00    -0.04   0.06  -0.01
     7   1     0.16   0.08  -0.09     0.01   0.00  -0.05    -0.10  -0.02   0.27
     8   1    -0.10  -0.14   0.38     0.01  -0.01  -0.03     0.00   0.19  -0.04
     9   1     0.11  -0.04   0.02    -0.01  -0.01   0.01     0.07   0.18  -0.27
    10   6    -0.18   0.24   0.04     0.03   0.08   0.02     0.09  -0.03   0.01
    11   6    -0.03  -0.06  -0.01    -0.00  -0.18  -0.04    -0.04  -0.05  -0.02
    12   6     0.31   0.04   0.04    -0.13  -0.02  -0.02    -0.02   0.07   0.02
    13   6    -0.03   0.04   0.01    -0.05   0.18   0.04     0.07  -0.05  -0.00
    14   6    -0.13  -0.29  -0.09     0.06  -0.06  -0.01    -0.08  -0.07  -0.02
    15   1    -0.17   0.26   0.07     0.31   0.27   0.09     0.38   0.17   0.04
    16   1    -0.04  -0.04  -0.05     0.35  -0.35  -0.04    -0.18   0.01  -0.01
    17   1     0.32   0.06   0.07    -0.14  -0.04  -0.03    -0.06   0.46   0.11
    18   1    -0.01   0.05  -0.01     0.24   0.40   0.13     0.28   0.09   0.05
    19   1    -0.11  -0.31  -0.07     0.39  -0.20  -0.02    -0.31   0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.4884              1131.5845              1184.3171
 Red. masses --      2.4706                 1.9450                 1.1219
 Frc consts  --      1.7501                 1.4673                 0.9271
 IR Inten    --     22.9952                31.1954                 0.5690
 RamAct Fr= 1--     14.1958                 0.6656                 3.2474
  Dep-P Fr= 1--      0.2075                 0.7272                 0.7343
  Dep-U Fr= 1--      0.3437                 0.8421                 0.8468
 Alpha2 Fr= 1--      0.1890                 0.0003                 0.0009
 Beta2  Fr= 1--      0.8131                 0.0934                 0.4583
 AlphaG Fr= 1--      0.1048                -0.0042                 0.0000
 Gamma2 Fr= 1--     -0.3422                -0.7483                -0.0022
 Delta2 Fr= 1--     -0.3712                -0.2402                 0.1270
 Raman1 Fr= 1--      56.783                  2.663                 12.989
 ROA1   Fr= 1--     -44.729                -79.524                  3.852
 CID1   Fr= 1--      -0.788                -29.867                  0.297
 Raman2 Fr= 1--       9.758                  1.121                  5.500
 ROA2   Fr= 1--      -5.242                -16.038                 -1.070
 CID2   Fr= 1--      -0.537                -14.307                 -0.195
 Raman3 Fr= 1--      19.515                  2.242                 10.999
 ROA3   Fr= 1--     -44.729                -79.524                  3.852
 CID3   Fr= 1--      -2.292                -35.469                  0.350
 RC180  Fr= 1--      -0.313                  0.684                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03   0.07  -0.03     0.03  -0.10  -0.00    -0.00  -0.00   0.00
     2   6     0.02  -0.11   0.25    -0.06   0.19   0.05    -0.00  -0.01  -0.01
     3   1    -0.04   0.11  -0.03     0.01   0.15  -0.06    -0.01   0.07  -0.02
     4   1     0.24  -0.04   0.15     0.02   0.31  -0.10     0.02  -0.02   0.00
     5   6    -0.06  -0.02  -0.16     0.04  -0.08  -0.02     0.00   0.01   0.00
     6   6     0.07   0.02  -0.08    -0.04  -0.01  -0.01     0.02   0.01   0.00
     7   1     0.26   0.16  -0.05    -0.13  -0.04   0.34    -0.00  -0.00  -0.02
     8   1    -0.10  -0.02   0.41    -0.00   0.23  -0.04     0.00  -0.01  -0.01
     9   1     0.42   0.18  -0.45     0.02   0.19  -0.25    -0.01  -0.01   0.02
    10   6    -0.02  -0.01   0.02    -0.08   0.00  -0.01    -0.00  -0.01  -0.00
    11   6    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.04  -0.03  -0.00
    12   6     0.02  -0.01  -0.00    -0.01  -0.05  -0.01    -0.01   0.07   0.02
    13   6    -0.04   0.02   0.00    -0.02   0.02   0.00    -0.04  -0.02  -0.01
    14   6     0.01   0.01   0.03     0.07   0.01   0.01     0.01  -0.01  -0.00
    15   1    -0.16  -0.09  -0.16    -0.31  -0.15  -0.06    -0.16  -0.12  -0.04
    16   1    -0.02   0.00  -0.00     0.24  -0.05   0.01     0.43  -0.20  -0.01
    17   1     0.03  -0.10  -0.01     0.03  -0.34  -0.08    -0.07   0.66   0.15
    18   1    -0.11  -0.03  -0.03    -0.09  -0.02  -0.01    -0.39  -0.26  -0.10
    19   1     0.03   0.04  -0.08     0.41  -0.13  -0.01     0.13  -0.06  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1196.1230              1206.7034              1249.7169
 Red. masses --      1.5091                 1.3240                 1.4066
 Frc consts  --      1.2721                 1.1359                 1.2943
 IR Inten    --     43.2589                17.9918                 6.8103
 RamAct Fr= 1--     11.1618                 4.6894                14.0139
  Dep-P Fr= 1--      0.1156                 0.4970                 0.1084
  Dep-U Fr= 1--      0.2072                 0.6640                 0.1957
 Alpha2 Fr= 1--      0.1881                 0.0235                 0.2403
 Beta2  Fr= 1--      0.3854                 0.5190                 0.4570
 AlphaG Fr= 1--      0.0332                 0.0031                -0.1471
 Gamma2 Fr= 1--      0.9909                -0.2321                -1.0503
 Delta2 Fr= 1--      0.2997                -0.1839                 0.0187
 Raman1 Fr= 1--      44.647                 18.758                 56.056
 ROA1   Fr= 1--     104.713                -28.166               -100.231
 CID1   Fr= 1--       2.345                 -1.502                 -1.788
 Raman2 Fr= 1--       4.625                  6.227                  5.484
 ROA2   Fr= 1--      21.383                 -4.099                -25.356
 CID2   Fr= 1--       4.624                 -0.658                 -4.624
 Raman3 Fr= 1--       9.250                 12.455                 10.968
 ROA3   Fr= 1--     104.713                -28.166               -100.231
 CID3   Fr= 1--      11.321                 -2.261                 -9.139
 RC180  Fr= 1--      -0.586                  0.328                 -0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.04   0.02     0.02   0.03  -0.01    -0.02   0.01   0.02
     2   6    -0.05  -0.00  -0.04     0.03  -0.00   0.02     0.05  -0.03  -0.02
     3   1    -0.07   0.56  -0.19     0.05  -0.37   0.12    -0.05   0.42  -0.12
     4   1     0.06  -0.04  -0.04    -0.06   0.04   0.01     0.75  -0.18  -0.06
     5   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.03
     6   6     0.17   0.03   0.03    -0.10  -0.02  -0.02    -0.12   0.07  -0.01
     7   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.03   0.01  -0.10
     8   1     0.02  -0.01  -0.05    -0.01  -0.00   0.02     0.01  -0.06  -0.02
     9   1    -0.07  -0.04   0.09     0.03   0.01  -0.04    -0.01  -0.07   0.12
    10   6    -0.01  -0.02  -0.01    -0.05  -0.02  -0.01    -0.04  -0.04  -0.01
    11   6    -0.02  -0.06  -0.02     0.07   0.00   0.01     0.05   0.01   0.01
    12   6     0.02  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02   0.00
    13   6    -0.02   0.05   0.01     0.06   0.01   0.01     0.01  -0.04  -0.01
    14   6    -0.01   0.01   0.00    -0.06   0.02   0.00    -0.00  -0.03  -0.01
    15   1    -0.40  -0.31  -0.10    -0.26  -0.17  -0.07    -0.02  -0.02  -0.02
    16   1     0.05  -0.09  -0.02     0.52  -0.20   0.00     0.04   0.02   0.01
    17   1     0.03  -0.07  -0.01    -0.01   0.04   0.01     0.01  -0.07  -0.01
    18   1     0.16   0.18   0.06     0.43   0.25   0.11     0.20   0.08   0.04
    19   1    -0.44   0.21   0.02    -0.34   0.14   0.00     0.24  -0.15  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1343.1258              1357.5819              1360.9025
 Red. masses --      3.6152                 1.3240                 1.3670
 Frc consts  --      3.8425                 1.4377                 1.4917
 IR Inten    --      2.7694                10.5122                 9.9445
 RamAct Fr= 1--      1.5252                 9.0292                 2.4179
  Dep-P Fr= 1--      0.3757                 0.3695                 0.2114
  Dep-U Fr= 1--      0.5462                 0.5397                 0.3490
 Alpha2 Fr= 1--      0.0123                 0.0743                 0.0319
 Beta2  Fr= 1--      0.1388                 0.8121                 0.1406
 AlphaG Fr= 1--      0.0329                -0.0136                 0.0044
 Gamma2 Fr= 1--     -0.6881                -2.1637                 1.0662
 Delta2 Fr= 1--     -0.5393                 0.3343                -0.4706
 Raman1 Fr= 1--       6.101                 36.117                  9.672
 ROA1   Fr= 1--     -83.318               -197.018                 87.293
 CID1   Fr= 1--     -13.657                 -5.455                  9.026
 Raman2 Fr= 1--       1.666                  9.745                  1.688
 ROA2   Fr= 1--     -12.200                -54.603                 29.353
 CID2   Fr= 1--      -7.323                 -5.603                 17.392
 Raman3 Fr= 1--       3.332                 19.491                  3.376
 ROA3   Fr= 1--     -83.318               -197.018                 87.293
 CID3   Fr= 1--     -25.004                -10.108                 25.860
 RC180  Fr= 1--       0.092                  0.079                 -0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.03  -0.00     0.00  -0.01  -0.02     0.02   0.01  -0.01
     2   6    -0.05   0.00  -0.03    -0.04  -0.08   0.07    -0.04  -0.04   0.02
     3   1     0.05  -0.36   0.11     0.01  -0.07   0.02     0.03  -0.20   0.06
     4   1    -0.39  -0.31   0.33     0.08   0.65  -0.63    -0.06   0.17  -0.17
     5   6     0.01  -0.02  -0.02     0.02   0.06   0.03     0.02   0.01   0.01
     6   6     0.02   0.24   0.07     0.01   0.02  -0.01     0.01   0.08   0.02
     7   1    -0.06  -0.03   0.06    -0.04  -0.02  -0.13    -0.04  -0.02  -0.04
     8   1    -0.01   0.01   0.04     0.06  -0.09  -0.14     0.02  -0.02  -0.04
     9   1     0.00   0.05  -0.09    -0.04  -0.04   0.12    -0.04   0.01   0.02
    10   6    -0.12  -0.09  -0.03    -0.04  -0.02  -0.01     0.09   0.04   0.02
    11   6     0.16  -0.10  -0.01     0.03  -0.01   0.00    -0.00  -0.02  -0.01
    12   6    -0.02   0.17   0.04    -0.01   0.05   0.01     0.01  -0.07  -0.02
    13   6    -0.16  -0.10  -0.04    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.17  -0.08  -0.01     0.05  -0.02   0.00    -0.08   0.01  -0.00
    15   1    -0.08  -0.06  -0.02     0.13   0.10   0.03    -0.43  -0.33  -0.11
    16   1    -0.35   0.12  -0.01     0.02  -0.01  -0.00    -0.33   0.12  -0.01
    17   1     0.02  -0.16  -0.04     0.01  -0.09  -0.02    -0.03   0.29   0.07
    18   1     0.21   0.15   0.07    -0.05  -0.02  -0.01     0.24   0.15   0.06
    19   1    -0.04   0.02   0.01    -0.14   0.08  -0.01     0.45  -0.22  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1403.8523              1418.7476              1487.4354
 Red. masses --      1.2685                 1.4787                 1.3616
 Frc consts  --      1.4729                 1.7536                 1.7749
 IR Inten    --     12.5040                11.8986                15.9115
 RamAct Fr= 1--      2.2202                 3.5707                 1.4326
  Dep-P Fr= 1--      0.3364                 0.2161                 0.7494
  Dep-U Fr= 1--      0.5034                 0.3555                 0.8568
 Alpha2 Fr= 1--      0.0204                 0.0464                 0.0000
 Beta2  Fr= 1--      0.1863                 0.2115                 0.2046
 AlphaG Fr= 1--      0.0035                 0.0184                 0.0000
 Gamma2 Fr= 1--     -0.1736                 0.5846                 1.4608
 Delta2 Fr= 1--     -0.0472                 0.6341                -0.8734
 Raman1 Fr= 1--       8.881                 14.283                  5.730
 ROA1   Fr= 1--     -18.180                 76.417                112.285
 CID1   Fr= 1--      -2.047                  5.350                 19.595
 Raman2 Fr= 1--       2.235                  2.538                  2.455
 ROA2   Fr= 1--      -3.790                  8.959                 42.046
 CID2   Fr= 1--      -1.695                  3.529                 17.128
 Raman3 Fr= 1--       4.470                  5.077                  4.910
 ROA3   Fr= 1--     -18.180                 76.417                112.285
 CID3   Fr= 1--      -4.067                 15.052                 22.871
 RC180  Fr= 1--       0.007                 -0.289                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.01  -0.00     0.03   0.04  -0.00     0.01   0.00  -0.00
     2   6    -0.05  -0.00   0.01    -0.17   0.01  -0.00    -0.01   0.00  -0.00
     3   1     0.02  -0.10   0.03     0.06  -0.43   0.15     0.01  -0.05   0.01
     4   1     0.17  -0.05  -0.00     0.59  -0.26   0.05    -0.08  -0.02   0.04
     5   6     0.07   0.04  -0.12     0.05  -0.02   0.04    -0.02   0.04   0.01
     6   6     0.01  -0.00  -0.01     0.05  -0.00  -0.01    -0.01   0.08   0.02
     7   1    -0.35   0.02   0.46    -0.09  -0.16  -0.26    -0.25  -0.02   0.20
     8   1     0.01  -0.15   0.50     0.03   0.08  -0.10     0.08  -0.49  -0.28
     9   1    -0.30  -0.35   0.34    -0.18   0.27  -0.18     0.52  -0.08  -0.03
    10   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.06  -0.02   0.00
    11   6    -0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.07  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.06   0.01
    13   6     0.01   0.01   0.00     0.02   0.03   0.01     0.08   0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01  -0.02  -0.00    -0.04  -0.04  -0.01
    15   1     0.02   0.01  -0.01    -0.02  -0.03  -0.02    -0.08  -0.12  -0.03
    16   1     0.02  -0.01  -0.00     0.05  -0.05  -0.01     0.15  -0.12  -0.02
    17   1     0.00  -0.02  -0.01     0.01  -0.10  -0.02     0.03  -0.33  -0.08
    18   1    -0.03  -0.02  -0.01    -0.15  -0.08  -0.04    -0.17  -0.17  -0.06
    19   1    -0.01   0.01  -0.01    -0.12   0.04  -0.01     0.04  -0.08  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.9070              1497.1900              1536.1089
 Red. masses --      1.2745                 1.2342                 2.2488
 Frc consts  --      1.6691                 1.6300                 3.1264
 IR Inten    --      1.8942                 1.6597                 9.5742
 RamAct Fr= 1--      5.2172                 2.7152                 0.4160
  Dep-P Fr= 1--      0.6194                 0.4751                 0.5964
  Dep-U Fr= 1--      0.7650                 0.6442                 0.7472
 Alpha2 Fr= 1--      0.0125                 0.0150                 0.0012
 Beta2  Fr= 1--      0.6651                 0.2915                 0.0518
 AlphaG Fr= 1--      0.0474                -0.0148                 0.0021
 Gamma2 Fr= 1--      2.8093                -2.6872                -0.1236
 Delta2 Fr= 1--     -0.4928                 0.3246                 0.0398
 Raman1 Fr= 1--      20.869                 10.861                  1.664
 ROA1   Fr= 1--     253.925               -247.582                -10.591
 CID1   Fr= 1--      12.168                -22.796                 -6.364
 Raman2 Fr= 1--       7.982                  3.498                  0.622
 ROA2   Fr= 1--      71.366                -67.089                 -3.284
 CID2   Fr= 1--       8.941                -19.178                 -5.282
 Raman3 Fr= 1--      15.964                  6.996                  1.243
 ROA3   Fr= 1--     253.925               -247.582                -10.591
 CID3   Fr= 1--      15.906                -35.387                 -8.518
 RC180  Fr= 1--       0.530                  0.288                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.01  -0.00
     2   6    -0.01  -0.04  -0.01    -0.07   0.02  -0.00    -0.05  -0.00  -0.00
     3   1     0.01  -0.06   0.02     0.02  -0.13   0.04     0.01  -0.07   0.02
     4   1    -0.04   0.03  -0.06     0.25  -0.09   0.00     0.01  -0.03   0.00
     5   6    -0.01  -0.04  -0.02    -0.04   0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.01   0.07   0.02     0.01  -0.05  -0.02     0.14   0.02   0.02
     7   1     0.50   0.25   0.11     0.24   0.24   0.40     0.05   0.05   0.08
     8   1    -0.08   0.58  -0.02     0.01   0.06  -0.42     0.00   0.02  -0.12
     9   1    -0.20  -0.21   0.20     0.43  -0.33   0.19     0.10  -0.06   0.03
    10   6     0.05  -0.01   0.00    -0.02   0.03   0.01    -0.05  -0.10  -0.03
    11   6    -0.05  -0.02  -0.01     0.05  -0.00   0.00    -0.13   0.09   0.01
    12   6    -0.01   0.06   0.01    -0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6     0.06   0.00   0.01    -0.04   0.02   0.00    -0.10  -0.11  -0.04
    14   6    -0.03  -0.03  -0.01     0.05   0.01   0.01    -0.07   0.09   0.01
    15   1    -0.06  -0.10  -0.03    -0.02   0.04   0.01     0.37   0.18   0.07
    16   1     0.11  -0.10  -0.01    -0.15   0.09   0.01     0.46  -0.16   0.01
    17   1     0.03  -0.28  -0.06    -0.03   0.21   0.05     0.13  -0.00   0.01
    18   1    -0.13  -0.14  -0.05     0.03   0.07   0.02     0.40   0.22   0.10
    19   1     0.03  -0.07  -0.01    -0.12   0.08   0.01     0.42  -0.12   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1631.1214              1652.1882              2977.4202
 Red. masses --      5.6125                 5.5688                 1.0833
 Frc consts  --      8.7979                 8.9563                 5.6584
 IR Inten    --      0.5345                 3.6393                39.9009
 RamAct Fr= 1--      8.8474                39.1959               102.7986
  Dep-P Fr= 1--      0.7270                 0.6343                 0.2218
  Dep-U Fr= 1--      0.8419                 0.7762                 0.3631
 Alpha2 Fr= 1--      0.0035                 0.0822                 1.3166
 Beta2  Fr= 1--      1.2415                 5.0709                 6.2215
 AlphaG Fr= 1--      0.0260                 0.0242                 1.4905
 Gamma2 Fr= 1--     -0.8329                 0.5421                 8.3800
 Delta2 Fr= 1--      0.0598                -0.1321                 3.5364
 Raman1 Fr= 1--      35.390                156.784                411.194
 ROA1   Fr= 1--     -78.048                 47.818                917.649
 CID1   Fr= 1--      -2.205                  0.305                  2.232
 Raman2 Fr= 1--      14.898                 60.850                 74.658
 ROA2   Fr= 1--     -20.469                 14.068                172.830
 CID2   Fr= 1--      -1.374                  0.231                  2.315
 Raman3 Fr= 1--      29.796                121.701                149.316
 ROA3   Fr= 1--     -78.048                 47.818                917.649
 CID3   Fr= 1--      -2.619                  0.393                  6.146
 RC180  Fr= 1--       0.684                  0.552                 -0.274
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.01   0.04   0.01     0.04   0.00   0.01    -0.02  -0.05  -0.06
     3   1    -0.01   0.03  -0.01    -0.00   0.04  -0.01     0.00  -0.00   0.00
     4   1     0.20  -0.03   0.00     0.00   0.03  -0.02     0.18   0.66   0.72
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.02  -0.30  -0.07    -0.23  -0.01  -0.02     0.00  -0.00  -0.00
     7   1    -0.01  -0.00   0.02    -0.02  -0.01  -0.01     0.02  -0.03   0.01
     8   1     0.00  -0.01  -0.02    -0.00  -0.01   0.05    -0.07  -0.01  -0.01
     9   1     0.01   0.00  -0.00    -0.03   0.00   0.00    -0.01  -0.04  -0.04
    10   6     0.09   0.20   0.06     0.28   0.10   0.05     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.04    -0.27   0.05  -0.01     0.00  -0.00  -0.00
    12   6    -0.03   0.35   0.08     0.14  -0.01   0.01     0.00   0.00   0.00
    13   6    -0.06  -0.21  -0.06    -0.26  -0.08  -0.05    -0.00  -0.00   0.00
    14   6    -0.11   0.17   0.03     0.31  -0.07   0.01     0.00   0.00   0.00
    15   1    -0.30  -0.06  -0.04    -0.27  -0.29  -0.09    -0.00   0.00   0.00
    16   1    -0.23  -0.07  -0.04     0.26  -0.19  -0.02     0.00   0.00   0.00
    17   1     0.06  -0.47  -0.11     0.14   0.04   0.03     0.00   0.00  -0.00
    18   1     0.26  -0.01   0.02     0.19   0.24   0.08    -0.00   0.00  -0.00
    19   1     0.29   0.01   0.03    -0.36   0.23   0.03    -0.01  -0.01  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3022.6500              3088.7265              3111.4041
 Red. masses --      1.0384                 1.0970                 1.1026
 Frc consts  --      5.5896                 6.1663                 6.2887
 IR Inten    --     34.0758                32.9505                16.6192
 RamAct Fr= 1--    237.1799                81.2141                33.5961
  Dep-P Fr= 1--      0.0673                 0.7495                 0.7113
  Dep-U Fr= 1--      0.1260                 0.8568                 0.8313
 Alpha2 Fr= 1--      4.4956                 0.0007                 0.0225
 Beta2  Fr= 1--      4.9825                11.5976                 4.6545
 AlphaG Fr= 1--     -0.2264                -0.0012                -0.0514
 Gamma2 Fr= 1--      0.0209                -2.2993                -1.7286
 Delta2 Fr= 1--     -0.0563                 0.1904                -2.1661
 Raman1 Fr= 1--     948.720                324.856                134.385
 ROA1   Fr= 1--       0.207               -214.640               -235.261
 CID1   Fr= 1--       0.000                 -0.661                 -1.751
 Raman2 Fr= 1--      59.790                139.171                 55.855
 ROA2   Fr= 1--       0.953                -56.707                -24.158
 CID2   Fr= 1--       0.016                 -0.407                 -0.433
 Raman3 Fr= 1--     119.581                278.343                111.709
 ROA3   Fr= 1--       0.207               -214.640               -235.261
 CID3   Fr= 1--       0.002                 -0.771                 -2.106
 RC180  Fr= 1--      -0.748                  0.714                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
     3   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   1     0.01   0.02   0.03     0.01   0.03   0.04     0.01   0.05   0.06
     5   6    -0.04  -0.01   0.03    -0.08   0.01  -0.05     0.01  -0.09  -0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.18   0.37  -0.11     0.22  -0.51   0.14    -0.29   0.61  -0.19
     8   1     0.76   0.09   0.09     0.61   0.08   0.06     0.04  -0.01  -0.00
     9   1    -0.09  -0.32  -0.34     0.08   0.36   0.38     0.13   0.46   0.51
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3155.9405              3168.7983              3179.3961
 Red. masses --      1.0869                 1.0866                 1.0913
 Frc consts  --      6.3782                 6.4283                 6.4994
 IR Inten    --      8.9638                 0.6342                22.8144
 RamAct Fr= 1--     51.8413                96.9468                76.2584
  Dep-P Fr= 1--      0.4676                 0.6028                 0.7310
  Dep-U Fr= 1--      0.6373                 0.7522                 0.8446
 Alpha2 Fr= 1--      0.2955                 0.2638                 0.0248
 Beta2  Fr= 1--      5.5062                12.1536                10.7344
 AlphaG Fr= 1--     -0.1573                -0.0395                -0.0327
 Gamma2 Fr= 1--     -0.8284                 1.0176                -0.9651
 Delta2 Fr= 1--      0.4923                 0.4812                 0.5618
 Raman1 Fr= 1--     207.365                387.787                305.034
 ROA1   Fr= 1--     -63.775                113.089                -74.670
 CID1   Fr= 1--      -0.308                  0.292                 -0.245
 Raman2 Fr= 1--      66.074                145.843                128.812
 ROA2   Fr= 1--     -23.820                 20.573                -27.657
 CID2   Fr= 1--      -0.361                  0.141                 -0.215
 Raman3 Fr= 1--     132.148                291.687                257.625
 ROA3   Fr= 1--     -63.775                113.089                -74.670
 CID3   Fr= 1--      -0.483                  0.388                 -0.290
 RC180  Fr= 1--       0.275                  0.504                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.01  -0.00     0.02   0.05   0.01    -0.02  -0.05  -0.01
    12   6     0.01   0.00   0.00    -0.05  -0.01  -0.01    -0.02   0.00  -0.00
    13   6    -0.02   0.03   0.01     0.01  -0.02  -0.00     0.04  -0.05  -0.01
    14   6    -0.03  -0.07  -0.02    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01
    15   1     0.01  -0.02  -0.00    -0.09   0.12   0.02     0.09  -0.13  -0.02
    16   1     0.04   0.09   0.02    -0.27  -0.59  -0.17     0.24   0.53   0.15
    17   1    -0.15  -0.01  -0.02     0.61   0.05   0.07     0.28   0.02   0.03
    18   1     0.22  -0.31  -0.06    -0.15   0.20   0.04    -0.40   0.54   0.10
    19   1     0.35   0.79   0.24     0.11   0.25   0.08     0.11   0.23   0.07
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.2772              3207.3527              3808.5397
 Red. masses --      1.0959                 1.0925                 1.0662
 Frc consts  --      6.5802                 6.6217                 9.1121
 IR Inten    --     19.4512                 4.1515                22.9054
 RamAct Fr= 1--    203.8586               126.0606               145.9969
  Dep-P Fr= 1--      0.1169                 0.1406                 0.2352
  Dep-U Fr= 1--      0.2094                 0.2466                 0.3809
 Alpha2 Fr= 1--      3.4236                 1.9955                 1.8027
 Beta2  Fr= 1--      7.1136                 5.1803                 9.2679
 AlphaG Fr= 1--     -0.2447                 0.1846                 0.1879
 Gamma2 Fr= 1--     -0.7488                 0.9819                 2.3086
 Delta2 Fr= 1--     -3.0234                 1.3915                -0.7289
 Raman1 Fr= 1--     815.434                504.242                583.987
 ROA1   Fr= 1--    -168.633                138.796                198.301
 CID1   Fr= 1--      -0.207                  0.275                  0.340
 Raman2 Fr= 1--      85.364                 62.164                111.215
 ROA2   Fr= 1--       6.217                 12.434                 61.237
 CID2   Fr= 1--       0.073                  0.200                  0.551
 Raman3 Fr= 1--     170.727                124.328                222.430
 ROA3   Fr= 1--    -168.633                138.796                198.301
 CID3   Fr= 1--      -0.988                  1.116                  0.892
 RC180  Fr= 1--      -0.581                 -0.507                 -0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.99   0.06  -0.06
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.01   0.01   0.00     0.05  -0.07  -0.01     0.00   0.00   0.00
    11   6    -0.01  -0.03  -0.01    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    12   6    -0.06  -0.01  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.03   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.13  -0.17  -0.03    -0.56   0.76   0.12     0.00   0.00   0.00
    16   1     0.12   0.28   0.08     0.11   0.25   0.07     0.00   0.00   0.00
    17   1     0.70   0.06   0.08     0.11   0.01   0.01     0.00   0.00   0.00
    18   1     0.33  -0.45  -0.08     0.03  -0.05  -0.01     0.00  -0.00   0.00
    19   1    -0.07  -0.14  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   519.290171584.083771862.35835
           X            0.99982   0.01579  -0.01030
           Y           -0.01559   0.99970   0.01900
           Z            0.01059  -0.01883   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16679     0.05468     0.04651
 Rotational constants (GHZ):           3.47540     1.13930     0.96906
 Zero-point vibrational energy     421954.3 (Joules/Mol)
                                  100.84950 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     48.29   189.40   313.64   371.47   391.60
          (Kelvin)            442.97   541.06   595.40   693.57   782.85
                              881.23   918.20  1027.42  1110.51  1120.71
                             1236.81  1304.89  1334.98  1386.96  1417.03
                             1467.78  1477.10  1517.35  1569.60  1577.60
                             1628.10  1703.97  1720.95  1736.18  1798.06
                             1932.46  1953.26  1958.04  2019.83  2041.26
                             2140.09  2145.08  2154.12  2210.12  2346.82
                             2377.13  4283.84  4348.92  4443.99  4476.62
                             4540.69  4559.19  4574.44  4592.97  4614.67
                             5479.64
 
 Zero-point correction=                           0.160714 (Hartree/Particle)
 Thermal correction to Energy=                    0.169146
 Thermal correction to Enthalpy=                  0.170090
 Thermal correction to Gibbs Free Energy=         0.127121
 Sum of electronic and zero-point Energies=           -386.115587
 Sum of electronic and thermal Energies=              -386.107154
 Sum of electronic and thermal Enthalpies=            -386.106210
 Sum of electronic and thermal Free Energies=         -386.149180
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.141             32.296             90.437
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.817
 Vibrational            104.363             26.335             21.307
 Vibration     1          0.594              1.983              5.607
 Vibration     2          0.612              1.922              2.922
 Vibration     3          0.646              1.814              1.976
 Vibration     4          0.667              1.749              1.674
 Vibration     5          0.675              1.725              1.582
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.747              1.521              1.055
 Vibration     8          0.777              1.440              0.913
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.899              1.153              0.557
 Vibration    11          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.337686D-58        -58.471486       -134.635573
 Total V=0       0.282951D+16         15.451712         35.578881
 Vib (Bot)       0.143767D-71        -71.842342       -165.423106
 Vib (Bot)    1  0.616772D+01          0.790125          1.819330
 Vib (Bot)    2  0.154805D+01          0.189785          0.436997
 Vib (Bot)    3  0.908166D+00         -0.041835         -0.096328
 Vib (Bot)    4  0.752963D+00         -0.123226         -0.283739
 Vib (Bot)    5  0.709277D+00         -0.149184         -0.343509
 Vib (Bot)    6  0.614928D+00         -0.211176         -0.486251
 Vib (Bot)    7  0.482117D+00         -0.316848         -0.729569
 Vib (Bot)    8  0.426305D+00         -0.370279         -0.852599
 Vib (Bot)    9  0.346331D+00         -0.460509         -1.060361
 Vib (Bot)   10  0.290049D+00         -0.537528         -1.237705
 Vib (Bot)   11  0.240656D+00         -0.618603         -1.424385
 Vib (V=0)       0.120464D+03          2.080856          4.791348
 Vib (V=0)    1  0.668796D+01          0.825294          1.900309
 Vib (V=0)    2  0.212679D+01          0.327726          0.754616
 Vib (V=0)    3  0.153671D+01          0.186592          0.429643
 Vib (V=0)    4  0.140385D+01          0.147322          0.339222
 Vib (V=0)    5  0.136780D+01          0.136022          0.313202
 Vib (V=0)    6  0.129255D+01          0.111447          0.256617
 Vib (V=0)    7  0.119458D+01          0.077214          0.177792
 Vib (V=0)    8  0.115707D+01          0.063358          0.145888
 Vib (V=0)    9  0.110823D+01          0.044630          0.102765
 Vib (V=0)   10  0.107804D+01          0.032634          0.075143
 Vib (V=0)   11  0.105490D+01          0.023212          0.053447
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.443069D+06          5.646471         13.001481
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 33333 33 32                                           11 1111111111111111111                                  
     8                 21111 10 09                                           66 54444433322111000009999 8 77 7 66 5 4  43 3222  1    
     0                 09765 18 27                                           53 39981065450983995228620 6 77 1 31 4 8  17 0751  3  3 
     9                 72996 19 37                                           21 67179418307642615705487 0 92 4 82 4 2  46 8288  2  4 
 
     X                 XXXXX XX XX                                           XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX X X  XX XXXX  X  X 
     X                  XX X XX XX                                              X  XXXXX  XX XXX      X    X X  X X        XX        
     X                  XX   XX XX                                                 X X    XX XXX      X    X X  X           X        
     X                  XX    X XX                                                        XX XXX      X    X X              X        
     X                   X    X XX                                                         X XXX           X X              X        
                              X XX                                                         X X X             X              X        
                              X XX                                                         X                 X              X        
                                 X                                                         X                 X              X        
                                                                                           X                 X              X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000017301   -0.000028225    0.000027327
      2        6          -0.000018651    0.000037003   -0.000022551
      3        1           0.000002026    0.000001570   -0.000011470
      4        1           0.000007142   -0.000007901    0.000011853
      5        6           0.000005849   -0.000005041    0.000004743
      6        6          -0.000015324    0.000016269   -0.000017094
      7        1          -0.000002483   -0.000006064    0.000003851
      8        1          -0.000011246   -0.000001754   -0.000000115
      9        1          -0.000000772    0.000001346    0.000002973
     10        6          -0.000019798   -0.000005855   -0.000006210
     11        6           0.000016556    0.000003706    0.000006219
     12        6           0.000013588    0.000016215    0.000005275
     13        6          -0.000005253   -0.000022204   -0.000003052
     14        6           0.000008027   -0.000005190    0.000002995
     15        1           0.000000034    0.000008820    0.000000151
     16        1          -0.000001129    0.000005478    0.000000307
     17        1           0.000004347   -0.000001090   -0.000000698
     18        1           0.000003096   -0.000001731   -0.000000606
     19        1          -0.000003308   -0.000005352   -0.000003901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037003 RMS     0.000011568
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130215D+03  0.105068D+01  0.133233D+01
      2   0.105068D+01  0.105488D+03  0.634936D+01
      3   0.133233D+01  0.634936D+01  0.736363D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.109169D+01  0.340024D+01  0.718088D+01
      2   0.670013D+01  0.134241D+02  0.943197D+00
      3  -0.654026D+01 -0.421330D+02 -0.127574D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.858754D+02  0.100764D+02  0.226066D+01
      2  -0.339393D+02 -0.149306D+02 -0.161662D+02
      3  -0.519361D+02  0.485421D+01  0.139056D+02
      4  -0.190755D+02  0.772853D+02  0.327431D+02
      5   0.302692D+02  0.341481D+02 -0.478559D+01
      6   0.124172D+02  0.101212D+02 -0.166700D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.733575D+01  0.551211D+00 -0.170548D+00  0.189322D+01 -0.219385D+01
      2   0.551211D+00  0.523049D+00  0.517210D+00 -0.219385D+01  0.327119D+01
      3  -0.170548D+00  0.517210D+00  0.394959D+00  0.134083D+01 -0.246515D+01
                 6             7             8             9            10 
      1   0.134083D+01 -0.963348D-01  0.989250D+00 -0.128036D+01  0.466903D+01
      2  -0.246515D+01  0.989250D+00 -0.651299D+00  0.119215D+01  0.135437D+01
      3   0.802909D+00 -0.128036D+01  0.119215D+01 -0.149573D+01 -0.107867D+01
                11            12            13            14            15 
      1   0.135437D+01 -0.107867D+01  0.422335D+01  0.379884D+01 -0.190682D+01
      2   0.130587D+01 -0.131173D+01  0.379884D+01  0.131280D+01  0.364573D+01
      3  -0.131173D+01  0.206071D+01 -0.190682D+01  0.364573D+01  0.371044D+01
                16            17            18            19            20 
      1  -0.485882D+01 -0.181266D+01  0.462881D+01 -0.116526D+02  0.198934D+01
      2  -0.181266D+01  0.184667D+01  0.387771D+01  0.198934D+01 -0.157430D+01
      3   0.462881D+01  0.387771D+01  0.142608D+00 -0.982954D+00  0.404450D+00
                21            22            23            24            25 
      1  -0.982954D+00  0.584982D+00 -0.899168D+00 -0.284083D-01  0.391144D+00
      2   0.404450D+00 -0.899168D+00  0.624962D+00 -0.103264D-01 -0.119138D+00
      3  -0.129738D+01 -0.284083D-01 -0.103264D-01  0.158444D+00 -0.778644D+00
                26            27            28            29            30 
      1  -0.119138D+00 -0.778644D+00 -0.895221D+00 -0.119967D+01 -0.104793D+01
      2   0.117011D+00  0.301541D+00 -0.119967D+01 -0.887378D+00 -0.370597D+00
      3   0.301541D+00 -0.397084D+00 -0.104793D+01 -0.370597D+00 -0.120463D+01
                31            32            33            34            35 
      1  -0.333996D+01 -0.175748D+01 -0.757233D+00 -0.190595D+01 -0.756598D+00
      2  -0.175748D+01 -0.392165D+01 -0.248307D+01 -0.756598D+00 -0.253877D+01
      3  -0.757233D+00 -0.248307D+01 -0.286766D+01 -0.190726D+01 -0.264138D+01
                36            37            38            39            40 
      1  -0.190726D+01  0.946136D+01  0.157362D+01  0.778837D+00 -0.659603D-01
      2  -0.264138D+01  0.157362D+01 -0.235101D+01  0.948913D+00 -0.259062D+01
      3  -0.423787D+01  0.778837D+00  0.948913D+00 -0.248213D+01  0.178563D+01
                41            42            43            44            45 
      1  -0.259062D+01  0.178563D+01  0.602015D+01  0.220408D+01 -0.380537D+01
      2   0.229239D+01 -0.293287D+01  0.220408D+01 -0.173603D+01 -0.326040D+01
      3  -0.293287D+01 -0.320407D+01 -0.380537D+01 -0.326040D+01  0.105495D+00
                46            47            48            49            50 
      1  -0.177919D+02 -0.281615D+01  0.228227D+00 -0.351308D+01  0.119937D+01
      2  -0.281615D+01 -0.300897D+01  0.166884D-01  0.119937D+01 -0.630786D-01
      3   0.228227D+00  0.166884D-01 -0.198368D+01  0.148653D+01 -0.275912D+00
                51            52            53            54            55 
      1   0.148653D+01 -0.609838D+00  0.136779D+01 -0.383837D+01  0.233861D+00
      2  -0.275912D+00  0.136779D+01 -0.428121D+00 -0.686105D+00 -0.983835D+00
      3  -0.214345D+00 -0.383837D+01 -0.686105D+00 -0.116264D+01  0.196268D+00
                56            57            58            59            60 
      1  -0.983835D+00  0.196268D+00 -0.178815D+01  0.604091D+00 -0.127862D+00
      2   0.164640D+01 -0.759922D+00  0.604091D+00 -0.599888D+01  0.234456D+01
      3  -0.759922D+00  0.107515D+01 -0.127862D+00  0.234456D+01 -0.196550D+01
                61            62            63            64            65 
      1   0.733794D-01 -0.361594D+00  0.358682D+00 -0.140265D+02 -0.223180D+01
      2  -0.361594D+00  0.159168D+01 -0.121021D+01 -0.223180D+01 -0.136367D+01
      3   0.358682D+00 -0.121021D+01  0.156869D+01  0.120003D+01  0.351870D+00
                66            67            68            69            70 
      1   0.120003D+01 -0.166104D+01 -0.142854D+01  0.285836D-01 -0.163887D+01
      2   0.351870D+00 -0.142854D+01 -0.971903D+00  0.432546D+00 -0.327275D+00
      3  -0.146345D+01  0.285836D-01  0.432546D+00 -0.252329D-01 -0.831246D+00
                71            72            73            74            75 
      1  -0.327275D+00 -0.831246D+00 -0.316092D+00  0.402930D+00  0.432751D+00
      2  -0.172107D+00  0.940075D-01  0.402930D+00  0.480676D+00  0.130372D-01
      3   0.940075D-01 -0.132509D+00  0.432751D+00  0.130372D-01  0.105009D+01
                76            77            78            79            80 
      1   0.152562D+01  0.121686D+00 -0.681628D+00  0.100173D+01 -0.129631D+00
      2   0.121686D+00  0.198178D+01  0.191453D+01 -0.129631D+00  0.187298D+01
      3  -0.681628D+00  0.191453D+01  0.338200D+01 -0.259757D+00  0.166019D+01
                81            82            83            84            85 
      1  -0.259757D+00  0.379551D+01 -0.772165D+00  0.111165D+00  0.844497D+01
      2   0.166019D+01 -0.772165D+00 -0.380942D+01 -0.875014D+00  0.244509D+00
      3   0.491419D+01  0.111165D+00 -0.875014D+00 -0.224707D+01  0.176502D+00
                86            87            88            89            90 
      1   0.244509D+00  0.176502D+00  0.301764D+01 -0.289595D+00 -0.191726D+01
      2   0.187557D+01 -0.787571D+00 -0.289595D+00 -0.177981D+01  0.314640D+01
      3  -0.787571D+00  0.157607D+01 -0.191726D+01  0.314640D+01  0.129231D+01
                91            92            93            94            95 
      1  -0.384865D+01 -0.433070D+00 -0.281997D+00  0.534195D+01  0.439190D+00
      2  -0.433070D+00  0.322368D+01 -0.241456D+00  0.439190D+00  0.165662D+01
      3  -0.281997D+00 -0.241456D+00  0.903688D+00 -0.395497D+00 -0.112630D+01
                96            97            98            99           100 
      1  -0.395497D+00  0.660580D+00 -0.915296D+00  0.201996D+01  0.637089D+01
      2  -0.112630D+01 -0.915296D+00 -0.121296D+01  0.369100D+01  0.531600D+00
      3   0.215087D+01  0.201996D+01  0.369100D+01  0.299900D+01 -0.608316D+00
               101           102           103           104           105 
      1   0.531600D+00 -0.608316D+00  0.134894D+01 -0.584589D+00 -0.146958D+01
      2   0.349616D+01  0.411961D-01 -0.584589D+00  0.316621D+00 -0.671788D+00
      3   0.411961D-01  0.322030D+01 -0.146958D+01 -0.671788D+00 -0.109231D+00
               106           107           108           109           110 
      1  -0.915486D-01 -0.147082D+01  0.526321D+01 -0.282756D+01 -0.824256D+00
      2  -0.147082D+01  0.259051D+00  0.271875D+00 -0.824256D+00  0.297555D+01
      3   0.526321D+01  0.271875D+00  0.125389D+01 -0.529463D+00  0.103415D+01
               111           112           113           114           115 
      1  -0.529463D+00 -0.621947D+01 -0.585954D+00 -0.103602D+01 -0.217422D+01
      2   0.103415D+01 -0.585954D+00 -0.142854D+01  0.146184D+01 -0.586445D+00
      3   0.211978D+01 -0.103602D+01  0.146184D+01 -0.204371D+01  0.295152D+01
               116           117           118           119           120 
      1  -0.586445D+00  0.295152D+01  0.480354D+01  0.259970D+01  0.753679D+00
      2   0.190415D+01 -0.307903D+01  0.259970D+01 -0.298017D+01 -0.730490D-01
      3  -0.307903D+01 -0.173143D+01  0.753679D+00 -0.730490D-01 -0.140536D+01
               121           122           123           124           125 
      1  -0.706019D+01 -0.950938D+00  0.332501D+00 -0.704063D+00  0.113105D+01
      2  -0.950938D+00 -0.205499D+01  0.114868D+01  0.113105D+01  0.104850D+01
      3   0.332501D+00  0.114868D+01 -0.138359D+01 -0.744866D+00 -0.316501D+01
               126           127           128           129           130 
      1  -0.744866D+00 -0.321480D+01  0.215986D+01  0.177475D+00  0.226007D+01
      2  -0.316501D+01  0.215986D+01 -0.268938D+01 -0.311031D+00 -0.279358D+01
      3  -0.306494D+01  0.177475D+00 -0.311031D+00 -0.354733D+00 -0.509863D+00
               131           132           133           134           135 
      1  -0.279358D+01 -0.509863D+00  0.504997D-02 -0.384833D+00 -0.667742D-01
      2   0.612318D+01  0.852728D+00 -0.384833D+00  0.112732D+01  0.184087D+00
      3   0.852728D+00  0.849217D+00 -0.667742D-01  0.184087D+00  0.127473D+00
               136           137           138           139           140 
      1   0.235292D+01  0.261814D+01  0.787315D+00  0.231832D+01  0.368927D+01
      2   0.261814D+01  0.289508D+01  0.803071D+00  0.368927D+01  0.871446D+01
      3   0.787315D+00  0.803071D+00  0.578774D+00  0.988917D+00  0.214922D+01
               141           142           143           144           145 
      1   0.988917D+00  0.750216D+00  0.113567D+01  0.298571D+00  0.128160D+02
      2   0.214922D+01  0.113567D+01  0.230515D+01  0.512707D+00  0.894061D+00
      3   0.133461D+01  0.298571D+00  0.512707D+00  0.308357D+00  0.122909D+01
               146           147           148           149           150 
      1   0.894061D+00  0.122909D+01  0.789117D+00  0.153111D+01  0.492757D+00
      2   0.783197D+00  0.701151D-01  0.153111D+01  0.343822D+00  0.174590D+00
      3   0.701151D-01  0.922282D+00  0.492757D+00  0.174590D+00  0.141732D+00
               151           152           153           154           155 
      1   0.141626D+01  0.496936D+00  0.206982D-01  0.438874D+01 -0.361658D+01
      2   0.496936D+00  0.125162D+00  0.219565D-01 -0.361658D+01  0.344032D+01
      3   0.206982D-01  0.219565D-01  0.147293D+00 -0.608035D+00  0.487286D+00
               156           157           158           159           160 
      1  -0.608035D+00 -0.350526D+01  0.430218D+01  0.915348D+00 -0.496571D+00
      2   0.487286D+00  0.430218D+01 -0.657861D+01 -0.121906D+01  0.693471D+00
      3   0.555522D+00  0.915348D+00 -0.121906D+01 -0.899520D+00  0.998488D-01
               161           162           163           164           165 
      1   0.693471D+00  0.998488D-01 -0.165427D+01 -0.179731D+01 -0.586933D+00
      2  -0.141015D+01 -0.220349D+00 -0.179731D+01 -0.210568D+01 -0.745189D+00
      3  -0.220349D+00 -0.184095D+00 -0.586933D+00 -0.745189D+00 -0.442825D+00
               166           167           168           169           170 
      1  -0.157744D+01 -0.214553D+01 -0.634691D+00 -0.759908D+00 -0.864357D+00
      2  -0.214553D+01 -0.749574D+01 -0.215237D+01 -0.864357D+00 -0.226843D+01
      3  -0.634691D+00 -0.215237D+01 -0.139343D+01 -0.211384D+00 -0.691142D+00
               171 
      1  -0.211384D+00
      2  -0.691142D+00
      3  -0.453010D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.286325D+00  0.664396D+00  0.881867D+00  0.193915D-01 -0.370752D+01
      2   0.620769D+01 -0.101141D+01  0.175743D+01  0.372317D-01  0.337964D+01
      3   0.148851D+02 -0.448214D+01  0.184045D+01  0.222947D+01  0.106605D+02
                 6             7             8             9            10 
      1  -0.431130D+01 -0.243990D+01  0.393426D+01  0.564274D+00 -0.159342D+01
      2  -0.324151D+01 -0.279118D+01 -0.584406D+00  0.305684D+01  0.274594D+01
      3  -0.513030D+01  0.863723D+00 -0.177943D+01  0.310981D+01  0.153252D+01
                11            12            13            14            15 
      1  -0.498468D+00  0.355558D-01  0.883495D+00  0.261102D+01  0.122239D+01
      2   0.190389D+01 -0.307024D+01  0.320602D+01 -0.584302D+01 -0.562576D+01
      3   0.168036D+01 -0.460806D+00  0.117051D+02 -0.315138D+01  0.806651D+01
                16            17            18            19            20 
      1   0.471492D+01  0.465734D+01 -0.190443D+01 -0.638854D+00  0.825971D+00
      2  -0.153709D+02 -0.905190D+01 -0.113095D+00 -0.640906D+01  0.390751D+00
      3  -0.125572D+01  0.693458D+01  0.576602D+01 -0.901775D+01 -0.394021D+01
                21            22            23            24            25 
      1   0.883763D+00  0.480748D+00 -0.192697D+00 -0.502580D+00  0.613630D+00
      2   0.489119D+01 -0.515138D-01 -0.938099D+00  0.141172D+00  0.127865D+01
      3   0.622237D-01 -0.120196D+01  0.305279D+00  0.395312D+00  0.257522D+00
                26            27            28            29            30 
      1   0.118629D+00 -0.357387D+00 -0.848115D+00  0.196527D+00 -0.101966D+01
      2  -0.410915D+00 -0.137252D-01  0.130682D+01  0.462398D+00  0.268062D+01
      3   0.435259D+00 -0.334566D+00 -0.239640D+01 -0.290714D+01 -0.197009D+00
                31            32            33            34            35 
      1  -0.176817D+00  0.128848D+01 -0.256025D+01 -0.116299D+01  0.137727D+01
      2  -0.554575D+00  0.415854D+01  0.537307D+01  0.291383D+00  0.403732D+01
      3   0.530417D+00 -0.726915D+01 -0.503693D+01  0.860536D+00 -0.518852D+01
                36            37            38            39            40 
      1  -0.240316D+01  0.381581D+01 -0.309680D+01 -0.167608D+01 -0.162334D+00
      2   0.694530D+01 -0.132019D+02 -0.485853D+01  0.910514D+01 -0.644627D+01
      3  -0.451198D+01 -0.325364D+01 -0.110763D+02  0.108513D+01 -0.492838D+01
                41            42            43            44            45 
      1   0.211333D+01 -0.102311D+02 -0.201675D+01 -0.515176D+01 -0.282995D+01
      2   0.104026D+02  0.656972D+01  0.620581D+01  0.744919D+01  0.343306D+01
      3   0.107506D+02 -0.108495D+02  0.153254D+01 -0.968489D+01 -0.568458D+01
                46            47            48            49            50 
      1  -0.283090D+00 -0.243969D+00 -0.300479D+00 -0.237306D+01 -0.366246D+01
      2  -0.274385D+01 -0.154429D+01 -0.119927D+01 -0.142205D+01  0.550892D+00
      3  -0.324897D+01  0.608969D+01  0.128653D+01  0.160417D+02  0.167450D+01
                51            52            53            54            55 
      1   0.126284D+01 -0.745187D-01  0.101006D+02  0.273525D+01 -0.157996D+01
      2   0.993099D+00 -0.133316D+02  0.664204D+00  0.162138D+00 -0.204982D+01
      3  -0.151569D+01  0.460256D+00  0.749283D+00 -0.411894D+00 -0.488531D+01
                56            57            58            59            60 
      1   0.198562D+01  0.111930D+01  0.130863D+01 -0.576508D+01 -0.105397D+01
      2   0.263572D+01 -0.202298D+01  0.324724D+01 -0.714049D+01  0.458480D+01
      3   0.505578D+01 -0.160802D+01  0.670981D+01 -0.158031D+02  0.614507D+01
                61            62            63            64            65 
      1   0.495710D+00  0.224223D+01  0.359634D+00 -0.680636D+00 -0.157806D+01
      2  -0.230075D+01  0.305463D+01 -0.371598D+01  0.958960D+01  0.854670D+00
      3  -0.837615D+00  0.439938D+01 -0.368588D+01  0.605188D+01 -0.580083D+01
                66            67            68            69            70 
      1  -0.164538D+01 -0.125214D+01 -0.612471D+00 -0.240377D+00 -0.109888D+01
      2   0.693876D+01  0.162258D+01 -0.291082D+00  0.385197D+00  0.153211D+01
      3   0.229778D+00 -0.128406D+01 -0.210724D+01  0.133772D+01 -0.919546D-02
                71            72            73            74            75 
      1   0.100833D+01 -0.487875D-01  0.126959D+01  0.140821D+01  0.602987D+00
      2  -0.327900D+00  0.838906D+00 -0.168092D+01 -0.858996D+00 -0.242008D+01
      3   0.519545D+00  0.139111D+01  0.176671D+01  0.995371D+00 -0.505772D-01
                76            77            78            79            80 
      1   0.461662D+00  0.536530D+01  0.372470D+01 -0.131933D+00  0.615546D+01
      2  -0.142669D+01 -0.557072D+01 -0.822327D+01 -0.290607D+01 -0.466931D+01
      3   0.157345D+01  0.540967D+01  0.549026D+01 -0.499075D+00  0.533400D+01
                81            82            83            84            85 
      1   0.630893D+01 -0.576533D+00  0.516149D-01  0.331234D+01 -0.862888D+00
      2  -0.119468D+02  0.241403D+01  0.115922D+00 -0.155639D+01  0.411136D+01
      3   0.505425D+01  0.250439D+01  0.393482D+00  0.136076D+01  0.494846D+01
                86            87            88            89            90 
      1   0.385513D+00 -0.248986D+01  0.649105D+01  0.301097D+01  0.672808D-01
      2   0.129479D+01  0.486253D+00 -0.117888D+02 -0.483945D+00  0.685310D-01
      3  -0.661464D+01  0.667542D+00 -0.734341D+00 -0.575098D+00 -0.507833D+01
                91            92            93            94            95 
      1   0.800552D+00  0.750084D+00 -0.171880D+01  0.160313D+01  0.132028D+00
      2  -0.536428D+00  0.260008D+01  0.462528D-01  0.151172D+01 -0.362172D+01
      3  -0.118632D-01 -0.114841D+02 -0.281781D+01  0.395367D+01 -0.209882D+01
                96            97            98            99           100 
      1  -0.367262D+01 -0.505213D+01  0.123448D+01 -0.158212D+01  0.262397D+00
      2   0.579156D+01 -0.795160D+01  0.883415D+01  0.484946D+01  0.105235D+00
      3   0.217342D+01 -0.550027D+00  0.234626D+01 -0.466325D+01 -0.121114D+01
               101           102           103           104           105 
      1  -0.755022D+00 -0.116364D+01 -0.118175D+01 -0.349201D+01  0.279840D+01
      2  -0.564532D+00  0.897010D+01 -0.499358D+01 -0.212700D+00  0.338790D+00
      3  -0.777843D+01  0.374452D+00  0.113339D+02  0.582811D+00  0.178466D+01
               106           107           108           109           110 
      1  -0.188913D+01  0.108248D+02  0.332028D+01 -0.685654D+00 -0.110942D+01
      2   0.765452D+01  0.136537D+01  0.295812D+01 -0.119905D+01  0.249669D+01
      3   0.472545D+01  0.132716D+01  0.516157D+00  0.106859D+01 -0.120982D+02
               111           112           113           114           115 
      1   0.300290D+01 -0.166995D+01  0.156462D+00 -0.273895D+01  0.696888D+01
      2   0.274097D+01 -0.102115D+01  0.405948D+01 -0.618301D+01 -0.437162D+01
      3  -0.254826D+01  0.553332D+01  0.867091D+00 -0.274881D+01 -0.462464D+00
               116           117           118           119           120 
      1   0.314139D+01  0.131564D+01 -0.767025D-01  0.194293D+01 -0.262556D+01
      2  -0.958397D+01 -0.497070D+01  0.413834D+01  0.181644D+01 -0.127323D+01
      3  -0.452847D+01  0.338018D+01 -0.170634D+01 -0.150139D+01 -0.248987D+01
               121           122           123           124           125 
      1   0.155384D+01  0.656406D+00 -0.292039D+01 -0.508308D+01  0.146184D+01
      2   0.150675D+01 -0.111952D+01 -0.133490D+01 -0.134019D+02 -0.126037D+01
      3   0.235311D+01  0.736856D+01  0.193115D+00 -0.357945D+01 -0.424715D+00
               126           127           128           129           130 
      1  -0.734562D+00  0.451318D+00 -0.620433D+00  0.190241D+01  0.206872D+00
      2  -0.289264D+01  0.159391D+01 -0.707551D+00  0.478763D+00 -0.698858D+00
      3   0.521464D+01 -0.916607D+01  0.348584D+01  0.130095D+00  0.662315D+01
               131           132           133           134           135 
      1  -0.823943D-01 -0.319739D+01 -0.147510D+00  0.183061D+01 -0.319272D-02
      2   0.120359D+01 -0.981650D+00 -0.150130D+01  0.553288D+00 -0.286029D+00
      3  -0.505808D+01 -0.120617D+01 -0.326425D+00 -0.692637D+00 -0.193117D+00
               136           137           138           139           140 
      1  -0.238082D+00  0.557761D-01 -0.175562D+01 -0.207170D+00  0.533712D+00
      2   0.427167D+00  0.815814D+00  0.188135D+01  0.666204D+00  0.320693D+01
      3  -0.752144D+00 -0.279954D+01 -0.554858D+00 -0.124425D+01 -0.126894D+02
               141           142           143           144           145 
      1  -0.423625D+01  0.567590D+00  0.207013D+01 -0.602175D+00 -0.125481D+00
      2   0.346535D+01 -0.595498D+00  0.130779D+00  0.744906D+00  0.164623D+01
      3  -0.282805D+01 -0.485204D+00 -0.335515D+01 -0.601966D+00 -0.175585D+00
               146           147           148           149           150 
      1   0.459655D+00 -0.447331D+00  0.113613D+00  0.217183D-01 -0.441944D+00
      2  -0.207833D-01  0.615933D+01  0.176815D+01  0.381843D+00  0.701880D+00
      3  -0.530200D+01  0.111100D+00 -0.356757D+01 -0.886237D+00 -0.401574D+00
               151           152           153           154           155 
      1   0.258259D+00  0.559647D+00 -0.179951D-01  0.247986D+00 -0.671486D+00
      2  -0.277029D+01 -0.892372D-01  0.569365D+00  0.159607D+00 -0.823879D-01
      3  -0.140815D+01 -0.759114D+00 -0.143155D+00  0.139360D+01 -0.477001D+01
               156           157           158           159           160 
      1   0.210258D+01  0.300362D+00  0.247438D+00 -0.339368D+01 -0.925818D+00
      2   0.259551D+01  0.776160D+00 -0.158881D+01 -0.327983D+01 -0.823924D+00
      3  -0.242274D+00 -0.300843D+01  0.108961D+02  0.152983D+01 -0.105646D+01
               161           162           163           164           165 
      1   0.171100D+01 -0.401061D+00  0.192541D+00  0.232879D+00 -0.149114D+01
      2   0.566033D+00 -0.449865D+00 -0.184746D+01 -0.126875D+01  0.116487D+00
      3   0.256659D+01  0.314230D+00  0.609503D+01  0.349285D+01  0.131569D+01
               166           167           168           169           170 
      1   0.288258D+00  0.828073D+00 -0.383736D+01  0.439966D+00  0.245960D+01
      2  -0.183872D+01 -0.231210D+01  0.390438D-01 -0.216673D+01 -0.720826D+00
      3   0.680886D+01  0.769073D+01  0.259967D+01  0.250410D+01  0.237598D+01
               171 
      1  -0.613192D+00
      2   0.961322D-01
      3   0.562315D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356857D+02  0.227542D+01  0.320583D+00 -0.691330D+01 -0.563121D+01
      2   0.196551D+02 -0.332591D+01 -0.125108D+01  0.118985D+01  0.130654D+02
      3   0.160306D+02  0.105049D+01  0.930501D+00  0.572345D+01 -0.743419D+01
      4   0.572481D+01  0.556138D+01 -0.224376D+01  0.187340D+02 -0.206871D+02
      5  -0.568782D+01 -0.231992D+01  0.628240D+01 -0.101155D+02  0.114090D+02
      6  -0.194406D+01  0.869474D-01 -0.232180D+01  0.435405D+01 -0.645209D+01
                 6             7             8             9            10 
      1   0.842951D+00  0.119270D+01  0.245657D+01 -0.335789D+01  0.929506D+01
      2   0.184822D+01 -0.103881D+01 -0.187964D+01 -0.458715D+01 -0.234724D+01
      3  -0.269117D+01 -0.153894D+00 -0.576932D+00  0.794505D+01 -0.694782D+01
      4   0.120089D+02 -0.705648D+01  0.471964D+01 -0.580696D+01 -0.359485D+01
      5  -0.712023D+01  0.118740D+02 -0.632947D+01  0.885661D+01  0.620599D+01
      6   0.120326D+02 -0.154979D+01  0.757709D+01 -0.659451D+01  0.257619D+01
                11            12            13            14            15 
      1   0.159880D+01 -0.175075D+01  0.385578D+01 -0.102796D+01  0.597545D+01
      2   0.864944D+00 -0.966893D+00  0.223129D+01  0.117216D+00 -0.109062D+02
      3  -0.246374D+01  0.271764D+01 -0.608706D+01  0.910748D+00  0.493077D+01
      4  -0.128596D+02  0.425857D+01 -0.226290D+02 -0.337131D+01 -0.173171D+02
      5   0.493894D+01 -0.157468D+02  0.133225D+02 -0.165510D+02 -0.142390D+02
      6   0.994025D+00 -0.175801D+01 -0.509945D+01 -0.511168D+01 -0.143224D+02
                16            17            18            19            20 
      1   0.118687D+02  0.735899D+01 -0.228527D+01  0.636036D+02 -0.915142D+01
      2  -0.969677D+01 -0.322447D+01  0.509345D+01 -0.332229D+02  0.366862D+01
      3  -0.217190D+01 -0.413453D+01 -0.280818D+01 -0.303807D+02  0.548280D+01
      4   0.133760D+02 -0.956602D+01 -0.199756D+02 -0.227790D+02  0.112238D+02
      5  -0.273601D+02 -0.185141D+02  0.348046D+00  0.143377D+02 -0.313751D+01
      6  -0.115937D+02 -0.116674D+02  0.179071D+00 -0.219298D+01  0.138499D+01
                21            22            23            24            25 
      1   0.400283D+01  0.138587D+00  0.378020D+01  0.419579D-01 -0.107668D+01
      2  -0.329949D+01 -0.161135D+01 -0.699579D+00 -0.895911D-01 -0.160467D+00
      3  -0.703344D+00  0.147276D+01 -0.308062D+01  0.476332D-01  0.123715D+01
      4  -0.261704D+01  0.782864D+01 -0.372169D+01  0.304816D+00  0.107390D+01
      5   0.866252D+01  0.134993D+00  0.832782D+00 -0.475157D+00  0.650298D+01
      6  -0.191606D+01  0.143149D+01 -0.168659D+00  0.148265D+01 -0.133357D+01
                26            27            28            29            30 
      1   0.754730D+00  0.313337D+01  0.320651D+01  0.221725D+01  0.306255D+01
      2   0.179986D+00 -0.263280D+01 -0.203712D+01 -0.950738D+00 -0.157301D+01
      3  -0.934717D+00 -0.500572D+00 -0.116939D+01 -0.126652D+01 -0.148954D+01
      4  -0.403167D+00 -0.191174D+01  0.753319D+01  0.902116D+01  0.371300D+01
      5  -0.158941D+01  0.241347D+01  0.607226D+01  0.366082D+01  0.994152D+01
      6   0.105236D+01 -0.258112D+00  0.445037D+01  0.168077D+01  0.249506D+01
                31            32            33            34            35 
      1   0.230426D+01 -0.694892D+01 -0.542008D+01  0.165166D+01 -0.604930D+01
      2  -0.927091D+00  0.756466D+01  0.372888D+01 -0.192747D+01  0.161041D+01
      3  -0.137717D+01 -0.615732D+00  0.169120D+01  0.275811D+00  0.443889D+01
      4   0.113156D+02  0.182148D+02  0.112382D+02  0.525567D+01  0.117209D+02
      5   0.522402D+01  0.107320D+02  0.127952D+02  0.128887D+02  0.114271D+02
      6   0.417148D+01  0.126235D+02  0.121853D+02  0.544446D+01  0.120577D+02
                36            37            38            39            40 
      1  -0.803811D+01 -0.593322D+02 -0.165377D+02  0.553503D+01 -0.145441D+02
      2  -0.337988D+01  0.235228D+02  0.122010D+02  0.109119D+01  0.792596D+01
      3   0.114180D+02  0.358094D+02  0.433667D+01 -0.662622D+01  0.661814D+01
      4   0.122264D+02 -0.201544D+02  0.898822D+01 -0.335303D+01  0.112806D+02
      5   0.178652D+02  0.686156D+01 -0.869177D+00  0.131232D+02 -0.629644D+01
      6   0.133107D+02  0.873013D+00 -0.760793D+01  0.485216D+01 -0.536275D+01
                41            42            43            44            45 
      1   0.216751D+02 -0.183397D+01 -0.599784D+01 -0.296891D+01  0.110421D+02
      2  -0.135928D+02  0.154522D+02  0.906650D+01  0.125302D+02 -0.473827D+01
      3  -0.808236D+01 -0.136182D+02 -0.306866D+01 -0.956132D+01 -0.630387D+01
      4  -0.580490D+01  0.124094D+02 -0.126618D+02  0.814402D+01  0.193821D+02
      5   0.797377D+01  0.156234D+02  0.238960D+02  0.173057D+02 -0.552906D+01
      6   0.691603D+01 -0.429900D+01  0.977825D+01 -0.222479D+00 -0.105182D+02
                46            47            48            49            50 
      1  -0.174605D+02 -0.880387D+00 -0.241408D+01  0.278493D+01 -0.620246D+01
      2   0.539320D+01  0.350200D+00 -0.233034D+00 -0.411360D+01  0.112654D+02
      3   0.120673D+02  0.530186D+00  0.264711D+01  0.132867D+01 -0.506293D+01
      4   0.104000D+02  0.430570D+01  0.468428D-01 -0.820542D+01 -0.326705D+01
      5  -0.767640D+01 -0.718387D+00 -0.158591D+00 -0.530582D+01  0.124196D+01
      6  -0.322656D+01  0.658470D+00  0.564472D+00 -0.255327D+01  0.486535D+01
                51            52            53            54            55 
      1  -0.328233D+00 -0.811581D+01 -0.182891D+01 -0.876327D+01 -0.808523D+00
      2   0.655062D+01  0.159897D+00  0.309678D+01 -0.249573D+01  0.281006D+01
      3  -0.622238D+01  0.795591D+01 -0.126788D+01  0.112590D+02 -0.200153D+01
      4   0.849633D+00 -0.586790D+01  0.207055D+00  0.277498D+01  0.159477D+01
      5   0.165368D+01  0.494580D+01  0.222562D+01 -0.654101D+00  0.935267D+00
      6  -0.141971D+01 -0.530745D+00  0.746630D+01 -0.295206D+01 -0.265591D+01
                56            57            58            59            60 
      1   0.991751D+01 -0.517605D+01  0.103945D+02 -0.232639D+02  0.967909D+01
      2  -0.867137D+01  0.167789D+01 -0.666015D+01  0.262306D+02 -0.638081D+01
      3  -0.124614D+01  0.349815D+01 -0.373431D+01 -0.296679D+01 -0.329829D+01
      4  -0.268333D+01  0.125405D+01  0.304686D+01  0.222976D+02 -0.893401D+01
      5  -0.354213D+00 -0.210507D+01 -0.386471D+01 -0.634818D+01  0.638954D+01
      6   0.567957D+01 -0.420428D+01  0.184437D+01 -0.183807D+02  0.119048D+02
                61            62            63            64            65 
      1  -0.228306D+01  0.709295D+01 -0.888369D+01  0.847811D+02  0.102503D+02
      2   0.565261D+00 -0.413224D+01  0.290695D+01 -0.413867D+02 -0.280237D+01
      3   0.171780D+01 -0.296071D+01  0.597673D+01 -0.433945D+02 -0.744794D+01
      4   0.789054D+00 -0.594579D+01  0.338419D+01  0.282126D+02  0.155512D+02
      5   0.115697D+01  0.324664D+01 -0.451582D+01 -0.227109D+02 -0.418477D+01
      6  -0.200404D+01  0.101477D+02 -0.628473D+01 -0.382176D+01 -0.304623D+01
                66            67            68            69            70 
      1  -0.260755D+01  0.716681D+01  0.522297D+01  0.348318D+00  0.769822D+01
      2   0.437357D+01 -0.138053D+01 -0.696502D+00 -0.945395D+00 -0.171470D+01
      3  -0.176602D+01 -0.578627D+01 -0.452647D+01  0.597077D+00 -0.598352D+01
      4  -0.266081D+01  0.144691D+02  0.753128D+01 -0.226429D+01  0.257692D+01
      5   0.137284D+02 -0.209064D+01 -0.312259D+01  0.828115D+00  0.858994D+01
      6   0.330435D+01 -0.210045D+01 -0.206934D+01  0.246803D+01  0.234295D+01
                71            72            73            74            75 
      1   0.769149D+00  0.522962D+01  0.364132D+01 -0.831616D+00 -0.556158D+01
      2  -0.604053D+00 -0.402945D+01 -0.309183D+01 -0.161644D+00  0.149051D+00
      3  -0.165096D+00 -0.120018D+01 -0.549489D+00  0.993259D+00  0.541253D+01
      4   0.991592D+00  0.819028D+00 -0.355027D+00 -0.120911D+01  0.280588D-01
      5   0.915770D-01 -0.283698D+00 -0.196579D+01  0.138656D+01 -0.553564D+00
      6   0.154526D+01  0.492306D+00  0.152930D+01  0.187448D+01 -0.271136D+00
                76            77            78            79            80 
      1  -0.474908D+01 -0.649607D+01 -0.571598D+01 -0.515533D+01 -0.375734D+01
      2   0.334210D+01 -0.411694D+00 -0.756066D+01  0.327414D+01 -0.619842D+01
      3   0.140697D+01  0.690777D+01  0.132766D+02  0.188119D+01  0.995576D+01
      4   0.490500D+00 -0.103330D+02 -0.954757D+01 -0.981327D-01 -0.959275D+01
      5   0.644415D+01 -0.769495D+01 -0.148025D+02  0.603797D+01 -0.714081D+01
      6   0.291577D-01  0.680793D+01  0.676939D+01 -0.277902D+00  0.668211D+01
                81            82            83            84            85 
      1  -0.133527D+02  0.188845D+01  0.180430D+02  0.599867D+01 -0.479175D+01
      2  -0.120613D+02 -0.372778D+01 -0.127693D+02 -0.399826D+00  0.121055D+02
      3   0.254140D+02  0.183933D+01 -0.527373D+01 -0.559885D+01 -0.731378D+01
      4  -0.905124D+01  0.810933D+01 -0.128135D+02 -0.632814D+00  0.229167D+01
      5  -0.199210D+02  0.421976D+01 -0.124788D+01 -0.207885D+01  0.331653D+01
      6   0.463530D+01  0.267470D+01 -0.220204D+01 -0.650546D+01  0.777767D+01
                86            87            88            89            90 
      1   0.612079D+00  0.429083D+01 -0.108374D+01  0.636196D+01 -0.141461D+02
      2  -0.388322D+01 -0.359745D+01  0.608418D+01 -0.872890D+01  0.185613D+01
      3   0.327115D+01 -0.693385D+00 -0.500043D+01  0.236693D+01  0.122900D+02
      4   0.140417D+02  0.266500D+01  0.261301D+01  0.116723D+00  0.341321D+01
      5   0.239886D+01  0.221439D+00  0.457661D+01  0.282380D+01 -0.105659D+01
      6  -0.572944D+01  0.549939D+01 -0.186858D+01  0.122074D+02  0.115855D+00
                91            92            93            94            95 
      1   0.604374D+01 -0.231113D+02 -0.322720D+01  0.231454D+02  0.111682D+02
      2  -0.456116D+01  0.155663D+02  0.108593D+01 -0.206584D+02 -0.131678D+02
      3  -0.148258D+01  0.754502D+01  0.214127D+01 -0.248707D+01  0.199953D+01
      4  -0.131696D+02 -0.514555D+01 -0.448784D+01  0.109803D+02 -0.939414D+00
      5  -0.664656D+01 -0.282109D+01 -0.282913D+01  0.582260D+00 -0.772886D+01
      6  -0.528026D+01 -0.164018D+01  0.421502D+01 -0.600749D+01 -0.118372D+02
                96            97            98            99           100 
      1   0.320561D+01  0.491858D+01 -0.103489D+01 -0.581218D+01 -0.826943D+01
      2  -0.773122D+01 -0.856517D+01 -0.804916D+01 -0.600975D+01  0.474301D+01
      3   0.452560D+01  0.364659D+01  0.908404D+01  0.118219D+02  0.352643D+01
      4  -0.717091D+01 -0.447000D+01 -0.106598D+02  0.131403D+02 -0.142977D+01
      5   0.118135D+02  0.128956D+02  0.134275D+02  0.103046D+02 -0.616332D+01
      6   0.538092D+01  0.483671D+01  0.132994D+02  0.390231D+01  0.334225D+00
               101           102           103           104           105 
      1  -0.191726D+01 -0.703935D+01  0.856111D+01 -0.207162D+02 -0.857278D+01
      2   0.168055D+01  0.303651D+01 -0.630191D+01  0.177803D+02  0.119585D+02
      3   0.236708D+00  0.400284D+01 -0.225920D+01  0.293588D+01 -0.338571D+01
      4   0.241916D+02  0.248916D+00 -0.207628D+02 -0.519870D+01 -0.466074D+01
      5  -0.307034D-01  0.201607D+02 -0.145302D+02 -0.177865D+01  0.633022D+00
      6   0.517329D+00  0.233606D+01 -0.350308D+01  0.482213D+01 -0.469487D+01
               106           107           108           109           110 
      1  -0.655253D+01 -0.933887D+01  0.127982D+02 -0.133119D+00  0.238349D+02
      2   0.119683D+01  0.677004D+01 -0.161696D+02 -0.293821D+01 -0.150875D+02
      3   0.535571D+01  0.256883D+01  0.337140D+01  0.307133D+01 -0.874732D+01
      4  -0.150192D+02 -0.700760D+00  0.295123D+00  0.171882D+02  0.457795D+01
      5   0.341421D+02  0.183977D+01  0.653279D+01 -0.412080D+00  0.221711D+01
      6   0.636952D+00  0.696818D+01 -0.504769D+01  0.162849D+01 -0.208146D+01
               111           112           113           114           115 
      1   0.644497D+01 -0.272161D+02  0.496450D+01  0.152391D+01 -0.975902D+01
      2   0.571148D+00  0.255829D+02 -0.784983D+01 -0.178166D+01  0.114014D+02
      3  -0.701612D+01  0.163314D+01  0.288533D+01  0.257756D+00 -0.164238D+01
      4   0.422292D+01  0.541232D+01  0.886322D+01  0.111590D+02  0.179073D+00
      5   0.564097D+01 -0.536185D+01  0.927491D+01 -0.125093D+02  0.189936D+02
      6  -0.717204D+01  0.850911D+01 -0.748767D+01  0.572898D+01 -0.591850D+01
               116           117           118           119           120 
      1   0.605247D+01  0.221786D+01  0.959263D+01 -0.130554D+02 -0.634270D-01
      2  -0.993523D+01 -0.861793D+01 -0.693447D+01  0.105642D+02 -0.194117D+01
      3   0.388276D+01  0.640007D+01 -0.265816D+01  0.249125D+01  0.200459D+01
      4   0.955922D+01 -0.135564D+02 -0.961734D+01 -0.196490D+02 -0.473882D+01
      5  -0.138290D+02 -0.105414D+02  0.184502D+01 -0.355280D+01 -0.537405D+01
      6   0.120164D+02 -0.516396D+00 -0.268612D+01 -0.265907D+01  0.524192D+01
               121           122           123           124           125 
      1   0.192824D+01  0.702948D+01  0.549711D+01  0.250676D+01  0.322287D+01
      2  -0.880919D+01 -0.943854D+01 -0.784269D+01 -0.497251D+01 -0.100683D+02
      3   0.688096D+01  0.240905D+01  0.234558D+01  0.246575D+01  0.684540D+01
      4   0.120570D+02 -0.129225D+02 -0.224278D+01 -0.428253D+00 -0.422936D+01
      5  -0.722597D+00 -0.266071D+01 -0.143377D+01  0.162179D+01 -0.573919D+01
      6  -0.631098D+01 -0.111778D+02  0.308393D+01  0.172076D+01  0.112063D+02
               126           127           128           129           130 
      1  -0.155876D+02 -0.418113D+01  0.782091D+01  0.991010D+00  0.856484D+01
      2  -0.110306D+01  0.623987D+01 -0.108966D+02 -0.116523D+01 -0.113172D+02
      3   0.166906D+02 -0.205874D+01  0.307572D+01  0.174217D+00  0.275233D+01
      4  -0.709606D+01 -0.823305D+01  0.774946D+01  0.106078D+01  0.759206D+01
      5  -0.571294D+01 -0.578761D+00  0.123720D+01  0.140407D+01  0.134293D+01
      6   0.454588D+01  0.883215D+00 -0.135633D+01 -0.225189D+01 -0.231167D+01
               131           132           133           134           135 
      1  -0.217990D+02 -0.355221D+01  0.139470D+01 -0.372935D+01 -0.735892D+00
      2   0.292747D+02  0.292491D+01 -0.202743D+01  0.471191D+01  0.131283D+01
      3  -0.747567D+01  0.627296D+00  0.632732D+00 -0.982568D+00 -0.576942D+00
      4  -0.839058D+01 -0.993261D+00  0.103833D+01 -0.123501D+01 -0.167172D+01
      5  -0.132766D+01 -0.138454D+01  0.110032D+01 -0.686476D+00 -0.682168D+00
      6   0.481356D+01  0.535333D+01 -0.104279D+01  0.190660D+01  0.119170D+01
               136           137           138           139           140 
      1   0.613498D+01  0.481937D+01  0.111779D+01 -0.243924D+00 -0.135019D+02
      2   0.255789D+01  0.479785D+01  0.321857D+00  0.102894D+02  0.333439D+02
      3  -0.869288D+01 -0.961722D+01 -0.143964D+01 -0.100455D+02 -0.198420D+02
      4   0.190347D+02  0.231902D+02  0.590116D+01  0.242385D+02  0.446516D+02
      5   0.518721D+01  0.587469D+01  0.534269D+01  0.611269D+01  0.104002D+02
      6   0.388454D+01  0.460963D+01  0.323550D+01  0.592968D+01  0.137125D+02
               141           142           143           144           145 
      1  -0.348468D+01  0.601457D+00 -0.264453D+01 -0.153798D+01  0.974289D+02
      2   0.533431D+01  0.197090D+01  0.729506D+01  0.258771D+01 -0.551329D+02
      3  -0.184963D+01 -0.257236D+01 -0.465053D+01 -0.104972D+01 -0.422960D+02
      4   0.106076D+02  0.705978D+01  0.123570D+02  0.394387D+01  0.913622D+01
      5   0.656765D+01  0.252923D+01  0.336977D+01  0.248090D+01  0.121593D+02
      6   0.936273D+01  0.231778D+01  0.493514D+01  0.358121D+01 -0.224075D+01
               146           147           148           149           150 
      1   0.639819D+01  0.782888D+01  0.472724D+01  0.881469D+01  0.203812D+01
      2  -0.314386D+01 -0.533915D+01 -0.215537D+01 -0.404771D+01 -0.178531D+01
      3  -0.325433D+01 -0.248973D+01 -0.257187D+01 -0.476698D+01 -0.252809D+00
      4   0.900078D+01  0.552558D+00  0.143371D+02  0.289449D+01  0.145293D+01
      5   0.624058D+00  0.105104D+02  0.399765D+01  0.167872D+01  0.124439D+01
      6   0.444527D+00  0.254325D+00  0.994324D+00 -0.112420D+00  0.160504D+01
               151           152           153           154           155 
      1   0.103555D+02  0.233130D+01  0.295393D+01  0.189806D+02 -0.120598D+02
      2  -0.583364D+01 -0.131083D+01 -0.181863D+01 -0.250664D+01 -0.208762D+01
      3  -0.452184D+01 -0.102047D+01 -0.113530D+01 -0.164740D+02  0.141474D+02
      4   0.434911D+01  0.157070D+01  0.781454D+00 -0.306931D+02  0.293939D+02
      5   0.261937D+01  0.488415D+00  0.180058D+01 -0.579827D+01  0.425443D+01
      6   0.845454D-01  0.593123D+00  0.577451D+00  0.213123D+01 -0.196727D+01
               156           157           158           159           160 
      1  -0.235592D+01 -0.793589D+01  0.186065D+01  0.501908D+00 -0.387669D+00
      2   0.636104D+00 -0.669354D+01  0.180883D+02  0.115685D+01 -0.168259D+01
      3   0.171982D+01  0.146294D+02 -0.199490D+02 -0.165875D+01  0.207026D+01
      4   0.419625D+01  0.323615D+02 -0.434326D+02 -0.780204D+01  0.546476D+01
      5   0.573621D+01  0.667384D+01 -0.816908D+01 -0.599449D+01  0.207602D+01
      6  -0.296113D+01 -0.424239D+01  0.618693D+01  0.613531D+01 -0.148906D+01
               161           162           163           164           165 
      1  -0.651935D+00 -0.290396D+00 -0.510592D+01 -0.822975D+01 -0.332999D+01
      2   0.364365D+01  0.115893D+01  0.615476D+01  0.950280D+01  0.233742D+01
      3  -0.299171D+01 -0.868533D+00 -0.104884D+01 -0.127305D+01  0.992572D+00
      4  -0.765880D+01 -0.263498D+01  0.414313D+01  0.709246D+01  0.160036D+01
      5  -0.192274D+01 -0.129157D+01  0.114812D+01  0.139201D+01  0.194928D+01
      6   0.227136D+01  0.195968D+01  0.308313D+01  0.462977D+01  0.286294D+01
               166           167           168           169           170 
      1  -0.787803D+01 -0.298656D+02 -0.927023D+01 -0.266476D+01 -0.862988D+01
      2   0.936212D+01  0.377075D+02  0.813235D+01  0.301224D+01  0.100602D+02
      3  -0.148409D+01 -0.784192D+01  0.113788D+01 -0.347474D+00 -0.143034D+01
      4   0.537680D+01  0.624821D+00 -0.430596D+00  0.182613D+01  0.604648D+00
      5   0.113618D+01 -0.560561D+00  0.189038D+00  0.112827D+01  0.555970D+00
      6   0.378253D+01  0.141284D+02  0.937988D+01  0.149697D+01  0.544528D+01
               171 
      1  -0.367493D+01
      2   0.363672D+01
      3   0.382150D-01
      4   0.154410D+01
      5   0.918428D+00
      6   0.402966D+01
 Leave Link  716 at Thu Aug 12 22:55:41 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130215D+03  0.105068D+01  0.133233D+01
      2   0.105068D+01  0.105488D+03  0.634936D+01
      3   0.133233D+01  0.634936D+01  0.736363D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.109169D+01  0.340024D+01  0.718088D+01
      2   0.670013D+01  0.134241D+02  0.943197D+00
      3  -0.654026D+01 -0.421330D+02 -0.127574D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.858754D+02  0.100764D+02  0.226066D+01
      2  -0.339393D+02 -0.149306D+02 -0.161662D+02
      3  -0.519361D+02  0.485421D+01  0.139056D+02
      4  -0.190755D+02  0.772853D+02  0.327431D+02
      5   0.302692D+02  0.341481D+02 -0.478559D+01
      6   0.124172D+02  0.101212D+02 -0.166700D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.733575D+01  0.551211D+00 -0.170548D+00  0.189322D+01 -0.219385D+01
      2   0.551211D+00  0.523049D+00  0.517210D+00 -0.219385D+01  0.327119D+01
      3  -0.170548D+00  0.517210D+00  0.394959D+00  0.134083D+01 -0.246515D+01
                 6             7             8             9            10 
      1   0.134083D+01 -0.963348D-01  0.989250D+00 -0.128036D+01  0.466903D+01
      2  -0.246515D+01  0.989250D+00 -0.651299D+00  0.119215D+01  0.135437D+01
      3   0.802909D+00 -0.128036D+01  0.119215D+01 -0.149573D+01 -0.107867D+01
                11            12            13            14            15 
      1   0.135437D+01 -0.107867D+01  0.422335D+01  0.379884D+01 -0.190682D+01
      2   0.130587D+01 -0.131173D+01  0.379884D+01  0.131280D+01  0.364573D+01
      3  -0.131173D+01  0.206071D+01 -0.190682D+01  0.364573D+01  0.371044D+01
                16            17            18            19            20 
      1  -0.485882D+01 -0.181266D+01  0.462881D+01 -0.116526D+02  0.198934D+01
      2  -0.181266D+01  0.184667D+01  0.387771D+01  0.198934D+01 -0.157430D+01
      3   0.462881D+01  0.387771D+01  0.142608D+00 -0.982954D+00  0.404450D+00
                21            22            23            24            25 
      1  -0.982954D+00  0.584982D+00 -0.899168D+00 -0.284083D-01  0.391144D+00
      2   0.404450D+00 -0.899168D+00  0.624962D+00 -0.103264D-01 -0.119138D+00
      3  -0.129738D+01 -0.284083D-01 -0.103264D-01  0.158444D+00 -0.778644D+00
                26            27            28            29            30 
      1  -0.119138D+00 -0.778644D+00 -0.895221D+00 -0.119967D+01 -0.104793D+01
      2   0.117011D+00  0.301541D+00 -0.119967D+01 -0.887378D+00 -0.370597D+00
      3   0.301541D+00 -0.397084D+00 -0.104793D+01 -0.370597D+00 -0.120463D+01
                31            32            33            34            35 
      1  -0.333996D+01 -0.175748D+01 -0.757233D+00 -0.190595D+01 -0.756598D+00
      2  -0.175748D+01 -0.392165D+01 -0.248307D+01 -0.756598D+00 -0.253877D+01
      3  -0.757233D+00 -0.248307D+01 -0.286766D+01 -0.190726D+01 -0.264138D+01
                36            37            38            39            40 
      1  -0.190726D+01  0.946136D+01  0.157362D+01  0.778837D+00 -0.659603D-01
      2  -0.264138D+01  0.157362D+01 -0.235101D+01  0.948913D+00 -0.259062D+01
      3  -0.423787D+01  0.778837D+00  0.948913D+00 -0.248213D+01  0.178563D+01
                41            42            43            44            45 
      1  -0.259062D+01  0.178563D+01  0.602015D+01  0.220408D+01 -0.380537D+01
      2   0.229239D+01 -0.293287D+01  0.220408D+01 -0.173603D+01 -0.326040D+01
      3  -0.293287D+01 -0.320407D+01 -0.380537D+01 -0.326040D+01  0.105495D+00
                46            47            48            49            50 
      1  -0.177919D+02 -0.281615D+01  0.228227D+00 -0.351308D+01  0.119937D+01
      2  -0.281615D+01 -0.300897D+01  0.166884D-01  0.119937D+01 -0.630786D-01
      3   0.228227D+00  0.166884D-01 -0.198368D+01  0.148653D+01 -0.275912D+00
                51            52            53            54            55 
      1   0.148653D+01 -0.609838D+00  0.136779D+01 -0.383837D+01  0.233861D+00
      2  -0.275912D+00  0.136779D+01 -0.428121D+00 -0.686105D+00 -0.983835D+00
      3  -0.214345D+00 -0.383837D+01 -0.686105D+00 -0.116264D+01  0.196268D+00
                56            57            58            59            60 
      1  -0.983835D+00  0.196268D+00 -0.178815D+01  0.604091D+00 -0.127862D+00
      2   0.164640D+01 -0.759922D+00  0.604091D+00 -0.599888D+01  0.234456D+01
      3  -0.759922D+00  0.107515D+01 -0.127862D+00  0.234456D+01 -0.196550D+01
                61            62            63            64            65 
      1   0.733794D-01 -0.361594D+00  0.358682D+00 -0.140265D+02 -0.223180D+01
      2  -0.361594D+00  0.159168D+01 -0.121021D+01 -0.223180D+01 -0.136367D+01
      3   0.358682D+00 -0.121021D+01  0.156869D+01  0.120003D+01  0.351870D+00
                66            67            68            69            70 
      1   0.120003D+01 -0.166104D+01 -0.142854D+01  0.285836D-01 -0.163887D+01
      2   0.351870D+00 -0.142854D+01 -0.971903D+00  0.432546D+00 -0.327275D+00
      3  -0.146345D+01  0.285836D-01  0.432546D+00 -0.252329D-01 -0.831246D+00
                71            72            73            74            75 
      1  -0.327275D+00 -0.831246D+00 -0.316092D+00  0.402930D+00  0.432751D+00
      2  -0.172107D+00  0.940075D-01  0.402930D+00  0.480676D+00  0.130372D-01
      3   0.940075D-01 -0.132509D+00  0.432751D+00  0.130372D-01  0.105009D+01
                76            77            78            79            80 
      1   0.152562D+01  0.121686D+00 -0.681628D+00  0.100173D+01 -0.129631D+00
      2   0.121686D+00  0.198178D+01  0.191453D+01 -0.129631D+00  0.187298D+01
      3  -0.681628D+00  0.191453D+01  0.338200D+01 -0.259757D+00  0.166019D+01
                81            82            83            84            85 
      1  -0.259757D+00  0.379551D+01 -0.772165D+00  0.111165D+00  0.844497D+01
      2   0.166019D+01 -0.772165D+00 -0.380942D+01 -0.875014D+00  0.244509D+00
      3   0.491419D+01  0.111165D+00 -0.875014D+00 -0.224707D+01  0.176502D+00
                86            87            88            89            90 
      1   0.244509D+00  0.176502D+00  0.301764D+01 -0.289595D+00 -0.191726D+01
      2   0.187557D+01 -0.787571D+00 -0.289595D+00 -0.177981D+01  0.314640D+01
      3  -0.787571D+00  0.157607D+01 -0.191726D+01  0.314640D+01  0.129231D+01
                91            92            93            94            95 
      1  -0.384865D+01 -0.433070D+00 -0.281997D+00  0.534195D+01  0.439190D+00
      2  -0.433070D+00  0.322368D+01 -0.241456D+00  0.439190D+00  0.165662D+01
      3  -0.281997D+00 -0.241456D+00  0.903688D+00 -0.395497D+00 -0.112630D+01
                96            97            98            99           100 
      1  -0.395497D+00  0.660580D+00 -0.915296D+00  0.201996D+01  0.637089D+01
      2  -0.112630D+01 -0.915296D+00 -0.121296D+01  0.369100D+01  0.531600D+00
      3   0.215087D+01  0.201996D+01  0.369100D+01  0.299900D+01 -0.608316D+00
               101           102           103           104           105 
      1   0.531600D+00 -0.608316D+00  0.134894D+01 -0.584589D+00 -0.146958D+01
      2   0.349616D+01  0.411961D-01 -0.584589D+00  0.316621D+00 -0.671788D+00
      3   0.411961D-01  0.322030D+01 -0.146958D+01 -0.671788D+00 -0.109231D+00
               106           107           108           109           110 
      1  -0.915486D-01 -0.147082D+01  0.526321D+01 -0.282756D+01 -0.824256D+00
      2  -0.147082D+01  0.259051D+00  0.271875D+00 -0.824256D+00  0.297555D+01
      3   0.526321D+01  0.271875D+00  0.125389D+01 -0.529463D+00  0.103415D+01
               111           112           113           114           115 
      1  -0.529463D+00 -0.621947D+01 -0.585954D+00 -0.103602D+01 -0.217422D+01
      2   0.103415D+01 -0.585954D+00 -0.142854D+01  0.146184D+01 -0.586445D+00
      3   0.211978D+01 -0.103602D+01  0.146184D+01 -0.204371D+01  0.295152D+01
               116           117           118           119           120 
      1  -0.586445D+00  0.295152D+01  0.480354D+01  0.259970D+01  0.753679D+00
      2   0.190415D+01 -0.307903D+01  0.259970D+01 -0.298017D+01 -0.730490D-01
      3  -0.307903D+01 -0.173143D+01  0.753679D+00 -0.730490D-01 -0.140536D+01
               121           122           123           124           125 
      1  -0.706019D+01 -0.950938D+00  0.332501D+00 -0.704063D+00  0.113105D+01
      2  -0.950938D+00 -0.205499D+01  0.114868D+01  0.113105D+01  0.104850D+01
      3   0.332501D+00  0.114868D+01 -0.138359D+01 -0.744866D+00 -0.316501D+01
               126           127           128           129           130 
      1  -0.744866D+00 -0.321480D+01  0.215986D+01  0.177475D+00  0.226007D+01
      2  -0.316501D+01  0.215986D+01 -0.268938D+01 -0.311031D+00 -0.279358D+01
      3  -0.306494D+01  0.177475D+00 -0.311031D+00 -0.354733D+00 -0.509863D+00
               131           132           133           134           135 
      1  -0.279358D+01 -0.509863D+00  0.504997D-02 -0.384833D+00 -0.667742D-01
      2   0.612318D+01  0.852728D+00 -0.384833D+00  0.112732D+01  0.184087D+00
      3   0.852728D+00  0.849217D+00 -0.667742D-01  0.184087D+00  0.127473D+00
               136           137           138           139           140 
      1   0.235292D+01  0.261814D+01  0.787315D+00  0.231832D+01  0.368927D+01
      2   0.261814D+01  0.289508D+01  0.803071D+00  0.368927D+01  0.871446D+01
      3   0.787315D+00  0.803071D+00  0.578774D+00  0.988917D+00  0.214922D+01
               141           142           143           144           145 
      1   0.988917D+00  0.750216D+00  0.113567D+01  0.298571D+00  0.128160D+02
      2   0.214922D+01  0.113567D+01  0.230515D+01  0.512707D+00  0.894061D+00
      3   0.133461D+01  0.298571D+00  0.512707D+00  0.308357D+00  0.122909D+01
               146           147           148           149           150 
      1   0.894061D+00  0.122909D+01  0.789117D+00  0.153111D+01  0.492757D+00
      2   0.783197D+00  0.701151D-01  0.153111D+01  0.343822D+00  0.174590D+00
      3   0.701151D-01  0.922282D+00  0.492757D+00  0.174590D+00  0.141732D+00
               151           152           153           154           155 
      1   0.141626D+01  0.496936D+00  0.206982D-01  0.438874D+01 -0.361658D+01
      2   0.496936D+00  0.125162D+00  0.219565D-01 -0.361658D+01  0.344032D+01
      3   0.206982D-01  0.219565D-01  0.147293D+00 -0.608035D+00  0.487286D+00
               156           157           158           159           160 
      1  -0.608035D+00 -0.350526D+01  0.430218D+01  0.915348D+00 -0.496571D+00
      2   0.487286D+00  0.430218D+01 -0.657861D+01 -0.121906D+01  0.693471D+00
      3   0.555522D+00  0.915348D+00 -0.121906D+01 -0.899520D+00  0.998488D-01
               161           162           163           164           165 
      1   0.693471D+00  0.998488D-01 -0.165427D+01 -0.179731D+01 -0.586933D+00
      2  -0.141015D+01 -0.220349D+00 -0.179731D+01 -0.210568D+01 -0.745189D+00
      3  -0.220349D+00 -0.184095D+00 -0.586933D+00 -0.745189D+00 -0.442825D+00
               166           167           168           169           170 
      1  -0.157744D+01 -0.214553D+01 -0.634691D+00 -0.759908D+00 -0.864357D+00
      2  -0.214553D+01 -0.749574D+01 -0.215237D+01 -0.864357D+00 -0.226843D+01
      3  -0.634691D+00 -0.215237D+01 -0.139343D+01 -0.211384D+00 -0.691142D+00
               171 
      1  -0.211384D+00
      2  -0.691142D+00
      3  -0.453010D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.286325D+00  0.664396D+00  0.881867D+00  0.193915D-01 -0.370752D+01
      2   0.620769D+01 -0.101141D+01  0.175743D+01  0.372317D-01  0.337964D+01
      3   0.148851D+02 -0.448214D+01  0.184045D+01  0.222947D+01  0.106605D+02
                 6             7             8             9            10 
      1  -0.431130D+01 -0.243990D+01  0.393426D+01  0.564274D+00 -0.159342D+01
      2  -0.324151D+01 -0.279118D+01 -0.584406D+00  0.305684D+01  0.274594D+01
      3  -0.513030D+01  0.863723D+00 -0.177943D+01  0.310981D+01  0.153252D+01
                11            12            13            14            15 
      1  -0.498468D+00  0.355558D-01  0.883495D+00  0.261102D+01  0.122239D+01
      2   0.190389D+01 -0.307024D+01  0.320602D+01 -0.584302D+01 -0.562576D+01
      3   0.168036D+01 -0.460806D+00  0.117051D+02 -0.315138D+01  0.806651D+01
                16            17            18            19            20 
      1   0.471492D+01  0.465734D+01 -0.190443D+01 -0.638854D+00  0.825971D+00
      2  -0.153709D+02 -0.905190D+01 -0.113095D+00 -0.640906D+01  0.390751D+00
      3  -0.125572D+01  0.693458D+01  0.576602D+01 -0.901775D+01 -0.394021D+01
                21            22            23            24            25 
      1   0.883763D+00  0.480748D+00 -0.192697D+00 -0.502580D+00  0.613630D+00
      2   0.489119D+01 -0.515138D-01 -0.938099D+00  0.141172D+00  0.127865D+01
      3   0.622237D-01 -0.120196D+01  0.305279D+00  0.395312D+00  0.257522D+00
                26            27            28            29            30 
      1   0.118629D+00 -0.357387D+00 -0.848115D+00  0.196527D+00 -0.101966D+01
      2  -0.410915D+00 -0.137252D-01  0.130682D+01  0.462398D+00  0.268062D+01
      3   0.435259D+00 -0.334566D+00 -0.239640D+01 -0.290714D+01 -0.197009D+00
                31            32            33            34            35 
      1  -0.176817D+00  0.128848D+01 -0.256025D+01 -0.116299D+01  0.137727D+01
      2  -0.554575D+00  0.415854D+01  0.537307D+01  0.291383D+00  0.403732D+01
      3   0.530417D+00 -0.726915D+01 -0.503693D+01  0.860536D+00 -0.518852D+01
                36            37            38            39            40 
      1  -0.240316D+01  0.381581D+01 -0.309680D+01 -0.167608D+01 -0.162334D+00
      2   0.694530D+01 -0.132019D+02 -0.485853D+01  0.910514D+01 -0.644627D+01
      3  -0.451198D+01 -0.325364D+01 -0.110763D+02  0.108513D+01 -0.492838D+01
                41            42            43            44            45 
      1   0.211333D+01 -0.102311D+02 -0.201675D+01 -0.515176D+01 -0.282995D+01
      2   0.104026D+02  0.656972D+01  0.620581D+01  0.744919D+01  0.343306D+01
      3   0.107506D+02 -0.108495D+02  0.153254D+01 -0.968489D+01 -0.568458D+01
                46            47            48            49            50 
      1  -0.283090D+00 -0.243969D+00 -0.300479D+00 -0.237306D+01 -0.366246D+01
      2  -0.274385D+01 -0.154429D+01 -0.119927D+01 -0.142205D+01  0.550892D+00
      3  -0.324897D+01  0.608969D+01  0.128653D+01  0.160417D+02  0.167450D+01
                51            52            53            54            55 
      1   0.126284D+01 -0.745187D-01  0.101006D+02  0.273525D+01 -0.157996D+01
      2   0.993099D+00 -0.133316D+02  0.664204D+00  0.162138D+00 -0.204982D+01
      3  -0.151569D+01  0.460256D+00  0.749283D+00 -0.411894D+00 -0.488531D+01
                56            57            58            59            60 
      1   0.198562D+01  0.111930D+01  0.130863D+01 -0.576508D+01 -0.105397D+01
      2   0.263572D+01 -0.202298D+01  0.324724D+01 -0.714049D+01  0.458480D+01
      3   0.505578D+01 -0.160802D+01  0.670981D+01 -0.158031D+02  0.614507D+01
                61            62            63            64            65 
      1   0.495710D+00  0.224223D+01  0.359634D+00 -0.680636D+00 -0.157806D+01
      2  -0.230075D+01  0.305463D+01 -0.371598D+01  0.958960D+01  0.854670D+00
      3  -0.837615D+00  0.439938D+01 -0.368588D+01  0.605188D+01 -0.580083D+01
                66            67            68            69            70 
      1  -0.164538D+01 -0.125214D+01 -0.612471D+00 -0.240377D+00 -0.109888D+01
      2   0.693876D+01  0.162258D+01 -0.291082D+00  0.385197D+00  0.153211D+01
      3   0.229778D+00 -0.128406D+01 -0.210724D+01  0.133772D+01 -0.919546D-02
                71            72            73            74            75 
      1   0.100833D+01 -0.487875D-01  0.126959D+01  0.140821D+01  0.602987D+00
      2  -0.327900D+00  0.838906D+00 -0.168092D+01 -0.858996D+00 -0.242008D+01
      3   0.519545D+00  0.139111D+01  0.176671D+01  0.995371D+00 -0.505772D-01
                76            77            78            79            80 
      1   0.461662D+00  0.536530D+01  0.372470D+01 -0.131933D+00  0.615546D+01
      2  -0.142669D+01 -0.557072D+01 -0.822327D+01 -0.290607D+01 -0.466931D+01
      3   0.157345D+01  0.540967D+01  0.549026D+01 -0.499075D+00  0.533400D+01
                81            82            83            84            85 
      1   0.630893D+01 -0.576533D+00  0.516149D-01  0.331234D+01 -0.862888D+00
      2  -0.119468D+02  0.241403D+01  0.115922D+00 -0.155639D+01  0.411136D+01
      3   0.505425D+01  0.250439D+01  0.393482D+00  0.136076D+01  0.494846D+01
                86            87            88            89            90 
      1   0.385513D+00 -0.248986D+01  0.649105D+01  0.301097D+01  0.672808D-01
      2   0.129479D+01  0.486253D+00 -0.117888D+02 -0.483945D+00  0.685310D-01
      3  -0.661464D+01  0.667542D+00 -0.734341D+00 -0.575098D+00 -0.507833D+01
                91            92            93            94            95 
      1   0.800552D+00  0.750084D+00 -0.171880D+01  0.160313D+01  0.132028D+00
      2  -0.536428D+00  0.260008D+01  0.462528D-01  0.151172D+01 -0.362172D+01
      3  -0.118632D-01 -0.114841D+02 -0.281781D+01  0.395367D+01 -0.209882D+01
                96            97            98            99           100 
      1  -0.367262D+01 -0.505213D+01  0.123448D+01 -0.158212D+01  0.262397D+00
      2   0.579156D+01 -0.795160D+01  0.883415D+01  0.484946D+01  0.105235D+00
      3   0.217342D+01 -0.550027D+00  0.234626D+01 -0.466325D+01 -0.121114D+01
               101           102           103           104           105 
      1  -0.755022D+00 -0.116364D+01 -0.118175D+01 -0.349201D+01  0.279840D+01
      2  -0.564532D+00  0.897010D+01 -0.499358D+01 -0.212700D+00  0.338790D+00
      3  -0.777843D+01  0.374452D+00  0.113339D+02  0.582811D+00  0.178466D+01
               106           107           108           109           110 
      1  -0.188913D+01  0.108248D+02  0.332028D+01 -0.685654D+00 -0.110942D+01
      2   0.765452D+01  0.136537D+01  0.295812D+01 -0.119905D+01  0.249669D+01
      3   0.472545D+01  0.132716D+01  0.516157D+00  0.106859D+01 -0.120982D+02
               111           112           113           114           115 
      1   0.300290D+01 -0.166995D+01  0.156462D+00 -0.273895D+01  0.696888D+01
      2   0.274097D+01 -0.102115D+01  0.405948D+01 -0.618301D+01 -0.437162D+01
      3  -0.254826D+01  0.553332D+01  0.867091D+00 -0.274881D+01 -0.462464D+00
               116           117           118           119           120 
      1   0.314139D+01  0.131564D+01 -0.767025D-01  0.194293D+01 -0.262556D+01
      2  -0.958397D+01 -0.497070D+01  0.413834D+01  0.181644D+01 -0.127323D+01
      3  -0.452847D+01  0.338018D+01 -0.170634D+01 -0.150139D+01 -0.248987D+01
               121           122           123           124           125 
      1   0.155384D+01  0.656406D+00 -0.292039D+01 -0.508308D+01  0.146184D+01
      2   0.150675D+01 -0.111952D+01 -0.133490D+01 -0.134019D+02 -0.126037D+01
      3   0.235311D+01  0.736856D+01  0.193115D+00 -0.357945D+01 -0.424715D+00
               126           127           128           129           130 
      1  -0.734562D+00  0.451318D+00 -0.620433D+00  0.190241D+01  0.206872D+00
      2  -0.289264D+01  0.159391D+01 -0.707551D+00  0.478763D+00 -0.698858D+00
      3   0.521464D+01 -0.916607D+01  0.348584D+01  0.130095D+00  0.662315D+01
               131           132           133           134           135 
      1  -0.823943D-01 -0.319739D+01 -0.147510D+00  0.183061D+01 -0.319272D-02
      2   0.120359D+01 -0.981650D+00 -0.150130D+01  0.553288D+00 -0.286029D+00
      3  -0.505808D+01 -0.120617D+01 -0.326425D+00 -0.692637D+00 -0.193117D+00
               136           137           138           139           140 
      1  -0.238082D+00  0.557761D-01 -0.175562D+01 -0.207170D+00  0.533712D+00
      2   0.427167D+00  0.815814D+00  0.188135D+01  0.666204D+00  0.320693D+01
      3  -0.752144D+00 -0.279954D+01 -0.554858D+00 -0.124425D+01 -0.126894D+02
               141           142           143           144           145 
      1  -0.423625D+01  0.567590D+00  0.207013D+01 -0.602175D+00 -0.125481D+00
      2   0.346535D+01 -0.595498D+00  0.130779D+00  0.744906D+00  0.164623D+01
      3  -0.282805D+01 -0.485204D+00 -0.335515D+01 -0.601966D+00 -0.175585D+00
               146           147           148           149           150 
      1   0.459655D+00 -0.447331D+00  0.113613D+00  0.217183D-01 -0.441944D+00
      2  -0.207833D-01  0.615933D+01  0.176815D+01  0.381843D+00  0.701880D+00
      3  -0.530200D+01  0.111100D+00 -0.356757D+01 -0.886237D+00 -0.401574D+00
               151           152           153           154           155 
      1   0.258259D+00  0.559647D+00 -0.179951D-01  0.247986D+00 -0.671486D+00
      2  -0.277029D+01 -0.892372D-01  0.569365D+00  0.159607D+00 -0.823879D-01
      3  -0.140815D+01 -0.759114D+00 -0.143155D+00  0.139360D+01 -0.477001D+01
               156           157           158           159           160 
      1   0.210258D+01  0.300362D+00  0.247438D+00 -0.339368D+01 -0.925818D+00
      2   0.259551D+01  0.776160D+00 -0.158881D+01 -0.327983D+01 -0.823924D+00
      3  -0.242274D+00 -0.300843D+01  0.108961D+02  0.152983D+01 -0.105646D+01
               161           162           163           164           165 
      1   0.171100D+01 -0.401061D+00  0.192541D+00  0.232879D+00 -0.149114D+01
      2   0.566033D+00 -0.449865D+00 -0.184746D+01 -0.126875D+01  0.116487D+00
      3   0.256659D+01  0.314230D+00  0.609503D+01  0.349285D+01  0.131569D+01
               166           167           168           169           170 
      1   0.288258D+00  0.828073D+00 -0.383736D+01  0.439966D+00  0.245960D+01
      2  -0.183872D+01 -0.231210D+01  0.390438D-01 -0.216673D+01 -0.720826D+00
      3   0.680886D+01  0.769073D+01  0.259967D+01  0.250410D+01  0.237598D+01
               171 
      1  -0.613192D+00
      2   0.961322D-01
      3   0.562315D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356857D+02  0.227542D+01  0.320583D+00 -0.691330D+01 -0.563121D+01
      2   0.196551D+02 -0.332591D+01 -0.125108D+01  0.118985D+01  0.130654D+02
      3   0.160306D+02  0.105049D+01  0.930501D+00  0.572345D+01 -0.743419D+01
      4   0.572481D+01  0.556138D+01 -0.224376D+01  0.187340D+02 -0.206871D+02
      5  -0.568782D+01 -0.231992D+01  0.628240D+01 -0.101155D+02  0.114090D+02
      6  -0.194406D+01  0.869474D-01 -0.232180D+01  0.435405D+01 -0.645209D+01
                 6             7             8             9            10 
      1   0.842951D+00  0.119270D+01  0.245657D+01 -0.335789D+01  0.929506D+01
      2   0.184822D+01 -0.103881D+01 -0.187964D+01 -0.458715D+01 -0.234724D+01
      3  -0.269117D+01 -0.153894D+00 -0.576932D+00  0.794505D+01 -0.694782D+01
      4   0.120089D+02 -0.705648D+01  0.471964D+01 -0.580696D+01 -0.359485D+01
      5  -0.712023D+01  0.118740D+02 -0.632947D+01  0.885661D+01  0.620599D+01
      6   0.120326D+02 -0.154979D+01  0.757709D+01 -0.659451D+01  0.257619D+01
                11            12            13            14            15 
      1   0.159880D+01 -0.175075D+01  0.385578D+01 -0.102796D+01  0.597545D+01
      2   0.864944D+00 -0.966893D+00  0.223129D+01  0.117216D+00 -0.109062D+02
      3  -0.246374D+01  0.271764D+01 -0.608706D+01  0.910748D+00  0.493077D+01
      4  -0.128596D+02  0.425857D+01 -0.226290D+02 -0.337131D+01 -0.173171D+02
      5   0.493894D+01 -0.157468D+02  0.133225D+02 -0.165510D+02 -0.142390D+02
      6   0.994025D+00 -0.175801D+01 -0.509945D+01 -0.511168D+01 -0.143224D+02
                16            17            18            19            20 
      1   0.118687D+02  0.735899D+01 -0.228527D+01  0.636036D+02 -0.915142D+01
      2  -0.969677D+01 -0.322447D+01  0.509345D+01 -0.332229D+02  0.366862D+01
      3  -0.217190D+01 -0.413453D+01 -0.280818D+01 -0.303807D+02  0.548280D+01
      4   0.133760D+02 -0.956602D+01 -0.199756D+02 -0.227790D+02  0.112238D+02
      5  -0.273601D+02 -0.185141D+02  0.348046D+00  0.143377D+02 -0.313751D+01
      6  -0.115937D+02 -0.116674D+02  0.179071D+00 -0.219298D+01  0.138499D+01
                21            22            23            24            25 
      1   0.400283D+01  0.138587D+00  0.378020D+01  0.419579D-01 -0.107668D+01
      2  -0.329949D+01 -0.161135D+01 -0.699579D+00 -0.895911D-01 -0.160467D+00
      3  -0.703344D+00  0.147276D+01 -0.308062D+01  0.476332D-01  0.123715D+01
      4  -0.261704D+01  0.782864D+01 -0.372169D+01  0.304816D+00  0.107390D+01
      5   0.866252D+01  0.134993D+00  0.832782D+00 -0.475157D+00  0.650298D+01
      6  -0.191606D+01  0.143149D+01 -0.168659D+00  0.148265D+01 -0.133357D+01
                26            27            28            29            30 
      1   0.754730D+00  0.313337D+01  0.320651D+01  0.221725D+01  0.306255D+01
      2   0.179986D+00 -0.263280D+01 -0.203712D+01 -0.950738D+00 -0.157301D+01
      3  -0.934717D+00 -0.500572D+00 -0.116939D+01 -0.126652D+01 -0.148954D+01
      4  -0.403167D+00 -0.191174D+01  0.753319D+01  0.902116D+01  0.371300D+01
      5  -0.158941D+01  0.241347D+01  0.607226D+01  0.366082D+01  0.994152D+01
      6   0.105236D+01 -0.258112D+00  0.445037D+01  0.168077D+01  0.249506D+01
                31            32            33            34            35 
      1   0.230426D+01 -0.694892D+01 -0.542008D+01  0.165166D+01 -0.604930D+01
      2  -0.927091D+00  0.756466D+01  0.372888D+01 -0.192747D+01  0.161041D+01
      3  -0.137717D+01 -0.615732D+00  0.169120D+01  0.275811D+00  0.443889D+01
      4   0.113156D+02  0.182148D+02  0.112382D+02  0.525567D+01  0.117209D+02
      5   0.522402D+01  0.107320D+02  0.127952D+02  0.128887D+02  0.114271D+02
      6   0.417148D+01  0.126235D+02  0.121853D+02  0.544446D+01  0.120577D+02
                36            37            38            39            40 
      1  -0.803811D+01 -0.593322D+02 -0.165377D+02  0.553503D+01 -0.145441D+02
      2  -0.337988D+01  0.235228D+02  0.122010D+02  0.109119D+01  0.792596D+01
      3   0.114180D+02  0.358094D+02  0.433667D+01 -0.662622D+01  0.661814D+01
      4   0.122264D+02 -0.201544D+02  0.898822D+01 -0.335303D+01  0.112806D+02
      5   0.178652D+02  0.686156D+01 -0.869177D+00  0.131232D+02 -0.629644D+01
      6   0.133107D+02  0.873013D+00 -0.760793D+01  0.485216D+01 -0.536275D+01
                41            42            43            44            45 
      1   0.216751D+02 -0.183397D+01 -0.599784D+01 -0.296891D+01  0.110421D+02
      2  -0.135928D+02  0.154522D+02  0.906650D+01  0.125302D+02 -0.473827D+01
      3  -0.808236D+01 -0.136182D+02 -0.306866D+01 -0.956132D+01 -0.630387D+01
      4  -0.580490D+01  0.124094D+02 -0.126618D+02  0.814402D+01  0.193821D+02
      5   0.797377D+01  0.156234D+02  0.238960D+02  0.173057D+02 -0.552906D+01
      6   0.691603D+01 -0.429900D+01  0.977825D+01 -0.222479D+00 -0.105182D+02
                46            47            48            49            50 
      1  -0.174605D+02 -0.880387D+00 -0.241408D+01  0.278493D+01 -0.620246D+01
      2   0.539320D+01  0.350200D+00 -0.233034D+00 -0.411360D+01  0.112654D+02
      3   0.120673D+02  0.530186D+00  0.264711D+01  0.132867D+01 -0.506293D+01
      4   0.104000D+02  0.430570D+01  0.468428D-01 -0.820542D+01 -0.326705D+01
      5  -0.767640D+01 -0.718387D+00 -0.158591D+00 -0.530582D+01  0.124196D+01
      6  -0.322656D+01  0.658470D+00  0.564472D+00 -0.255327D+01  0.486535D+01
                51            52            53            54            55 
      1  -0.328233D+00 -0.811581D+01 -0.182891D+01 -0.876327D+01 -0.808523D+00
      2   0.655062D+01  0.159897D+00  0.309678D+01 -0.249573D+01  0.281006D+01
      3  -0.622238D+01  0.795591D+01 -0.126788D+01  0.112590D+02 -0.200153D+01
      4   0.849633D+00 -0.586790D+01  0.207055D+00  0.277498D+01  0.159477D+01
      5   0.165368D+01  0.494580D+01  0.222562D+01 -0.654101D+00  0.935267D+00
      6  -0.141971D+01 -0.530745D+00  0.746630D+01 -0.295206D+01 -0.265591D+01
                56            57            58            59            60 
      1   0.991751D+01 -0.517605D+01  0.103945D+02 -0.232639D+02  0.967909D+01
      2  -0.867137D+01  0.167789D+01 -0.666015D+01  0.262306D+02 -0.638081D+01
      3  -0.124614D+01  0.349815D+01 -0.373431D+01 -0.296679D+01 -0.329829D+01
      4  -0.268333D+01  0.125405D+01  0.304686D+01  0.222976D+02 -0.893401D+01
      5  -0.354213D+00 -0.210507D+01 -0.386471D+01 -0.634818D+01  0.638954D+01
      6   0.567957D+01 -0.420428D+01  0.184437D+01 -0.183807D+02  0.119048D+02
                61            62            63            64            65 
      1  -0.228306D+01  0.709295D+01 -0.888369D+01  0.847811D+02  0.102503D+02
      2   0.565261D+00 -0.413224D+01  0.290695D+01 -0.413867D+02 -0.280237D+01
      3   0.171780D+01 -0.296071D+01  0.597673D+01 -0.433945D+02 -0.744794D+01
      4   0.789054D+00 -0.594579D+01  0.338419D+01  0.282126D+02  0.155512D+02
      5   0.115697D+01  0.324664D+01 -0.451582D+01 -0.227109D+02 -0.418477D+01
      6  -0.200404D+01  0.101477D+02 -0.628473D+01 -0.382176D+01 -0.304623D+01
                66            67            68            69            70 
      1  -0.260755D+01  0.716681D+01  0.522297D+01  0.348318D+00  0.769822D+01
      2   0.437357D+01 -0.138053D+01 -0.696502D+00 -0.945395D+00 -0.171470D+01
      3  -0.176602D+01 -0.578627D+01 -0.452647D+01  0.597077D+00 -0.598352D+01
      4  -0.266081D+01  0.144691D+02  0.753128D+01 -0.226429D+01  0.257692D+01
      5   0.137284D+02 -0.209064D+01 -0.312259D+01  0.828115D+00  0.858994D+01
      6   0.330435D+01 -0.210045D+01 -0.206934D+01  0.246803D+01  0.234295D+01
                71            72            73            74            75 
      1   0.769149D+00  0.522962D+01  0.364132D+01 -0.831616D+00 -0.556158D+01
      2  -0.604053D+00 -0.402945D+01 -0.309183D+01 -0.161644D+00  0.149051D+00
      3  -0.165096D+00 -0.120018D+01 -0.549489D+00  0.993259D+00  0.541253D+01
      4   0.991592D+00  0.819028D+00 -0.355027D+00 -0.120911D+01  0.280588D-01
      5   0.915770D-01 -0.283698D+00 -0.196579D+01  0.138656D+01 -0.553564D+00
      6   0.154526D+01  0.492306D+00  0.152930D+01  0.187448D+01 -0.271136D+00
                76            77            78            79            80 
      1  -0.474908D+01 -0.649607D+01 -0.571598D+01 -0.515533D+01 -0.375734D+01
      2   0.334210D+01 -0.411694D+00 -0.756066D+01  0.327414D+01 -0.619842D+01
      3   0.140697D+01  0.690777D+01  0.132766D+02  0.188119D+01  0.995576D+01
      4   0.490500D+00 -0.103330D+02 -0.954757D+01 -0.981327D-01 -0.959275D+01
      5   0.644415D+01 -0.769495D+01 -0.148025D+02  0.603797D+01 -0.714081D+01
      6   0.291577D-01  0.680793D+01  0.676939D+01 -0.277902D+00  0.668211D+01
                81            82            83            84            85 
      1  -0.133527D+02  0.188845D+01  0.180430D+02  0.599867D+01 -0.479175D+01
      2  -0.120613D+02 -0.372778D+01 -0.127693D+02 -0.399826D+00  0.121055D+02
      3   0.254140D+02  0.183933D+01 -0.527373D+01 -0.559885D+01 -0.731378D+01
      4  -0.905124D+01  0.810933D+01 -0.128135D+02 -0.632814D+00  0.229167D+01
      5  -0.199210D+02  0.421976D+01 -0.124788D+01 -0.207885D+01  0.331653D+01
      6   0.463530D+01  0.267470D+01 -0.220204D+01 -0.650546D+01  0.777767D+01
                86            87            88            89            90 
      1   0.612079D+00  0.429083D+01 -0.108374D+01  0.636196D+01 -0.141461D+02
      2  -0.388322D+01 -0.359745D+01  0.608418D+01 -0.872890D+01  0.185613D+01
      3   0.327115D+01 -0.693385D+00 -0.500043D+01  0.236693D+01  0.122900D+02
      4   0.140417D+02  0.266500D+01  0.261301D+01  0.116723D+00  0.341321D+01
      5   0.239886D+01  0.221439D+00  0.457661D+01  0.282380D+01 -0.105659D+01
      6  -0.572944D+01  0.549939D+01 -0.186858D+01  0.122074D+02  0.115855D+00
                91            92            93            94            95 
      1   0.604374D+01 -0.231113D+02 -0.322720D+01  0.231454D+02  0.111682D+02
      2  -0.456116D+01  0.155663D+02  0.108593D+01 -0.206584D+02 -0.131678D+02
      3  -0.148258D+01  0.754502D+01  0.214127D+01 -0.248707D+01  0.199953D+01
      4  -0.131696D+02 -0.514555D+01 -0.448784D+01  0.109803D+02 -0.939414D+00
      5  -0.664656D+01 -0.282109D+01 -0.282913D+01  0.582260D+00 -0.772886D+01
      6  -0.528026D+01 -0.164018D+01  0.421502D+01 -0.600749D+01 -0.118372D+02
                96            97            98            99           100 
      1   0.320561D+01  0.491858D+01 -0.103489D+01 -0.581218D+01 -0.826943D+01
      2  -0.773122D+01 -0.856517D+01 -0.804916D+01 -0.600975D+01  0.474301D+01
      3   0.452560D+01  0.364659D+01  0.908404D+01  0.118219D+02  0.352643D+01
      4  -0.717091D+01 -0.447000D+01 -0.106598D+02  0.131403D+02 -0.142977D+01
      5   0.118135D+02  0.128956D+02  0.134275D+02  0.103046D+02 -0.616332D+01
      6   0.538092D+01  0.483671D+01  0.132994D+02  0.390231D+01  0.334225D+00
               101           102           103           104           105 
      1  -0.191726D+01 -0.703935D+01  0.856111D+01 -0.207162D+02 -0.857278D+01
      2   0.168055D+01  0.303651D+01 -0.630191D+01  0.177803D+02  0.119585D+02
      3   0.236708D+00  0.400284D+01 -0.225920D+01  0.293588D+01 -0.338571D+01
      4   0.241916D+02  0.248916D+00 -0.207628D+02 -0.519870D+01 -0.466074D+01
      5  -0.307034D-01  0.201607D+02 -0.145302D+02 -0.177865D+01  0.633022D+00
      6   0.517329D+00  0.233606D+01 -0.350308D+01  0.482213D+01 -0.469487D+01
               106           107           108           109           110 
      1  -0.655253D+01 -0.933887D+01  0.127982D+02 -0.133119D+00  0.238349D+02
      2   0.119683D+01  0.677004D+01 -0.161696D+02 -0.293821D+01 -0.150875D+02
      3   0.535571D+01  0.256883D+01  0.337140D+01  0.307133D+01 -0.874732D+01
      4  -0.150192D+02 -0.700760D+00  0.295123D+00  0.171882D+02  0.457795D+01
      5   0.341421D+02  0.183977D+01  0.653279D+01 -0.412080D+00  0.221711D+01
      6   0.636952D+00  0.696818D+01 -0.504769D+01  0.162849D+01 -0.208146D+01
               111           112           113           114           115 
      1   0.644497D+01 -0.272161D+02  0.496450D+01  0.152391D+01 -0.975902D+01
      2   0.571148D+00  0.255829D+02 -0.784983D+01 -0.178166D+01  0.114014D+02
      3  -0.701612D+01  0.163314D+01  0.288533D+01  0.257756D+00 -0.164238D+01
      4   0.422292D+01  0.541232D+01  0.886322D+01  0.111590D+02  0.179073D+00
      5   0.564097D+01 -0.536185D+01  0.927491D+01 -0.125093D+02  0.189936D+02
      6  -0.717204D+01  0.850911D+01 -0.748767D+01  0.572898D+01 -0.591850D+01
               116           117           118           119           120 
      1   0.605247D+01  0.221786D+01  0.959263D+01 -0.130554D+02 -0.634270D-01
      2  -0.993523D+01 -0.861793D+01 -0.693447D+01  0.105642D+02 -0.194117D+01
      3   0.388276D+01  0.640007D+01 -0.265816D+01  0.249125D+01  0.200459D+01
      4   0.955922D+01 -0.135564D+02 -0.961734D+01 -0.196490D+02 -0.473882D+01
      5  -0.138290D+02 -0.105414D+02  0.184502D+01 -0.355280D+01 -0.537405D+01
      6   0.120164D+02 -0.516396D+00 -0.268612D+01 -0.265907D+01  0.524192D+01
               121           122           123           124           125 
      1   0.192824D+01  0.702948D+01  0.549711D+01  0.250676D+01  0.322287D+01
      2  -0.880919D+01 -0.943854D+01 -0.784269D+01 -0.497251D+01 -0.100683D+02
      3   0.688096D+01  0.240905D+01  0.234558D+01  0.246575D+01  0.684540D+01
      4   0.120570D+02 -0.129225D+02 -0.224278D+01 -0.428253D+00 -0.422936D+01
      5  -0.722597D+00 -0.266071D+01 -0.143377D+01  0.162179D+01 -0.573919D+01
      6  -0.631098D+01 -0.111778D+02  0.308393D+01  0.172076D+01  0.112063D+02
               126           127           128           129           130 
      1  -0.155876D+02 -0.418113D+01  0.782091D+01  0.991010D+00  0.856484D+01
      2  -0.110306D+01  0.623987D+01 -0.108966D+02 -0.116523D+01 -0.113172D+02
      3   0.166906D+02 -0.205874D+01  0.307572D+01  0.174217D+00  0.275233D+01
      4  -0.709606D+01 -0.823305D+01  0.774946D+01  0.106078D+01  0.759206D+01
      5  -0.571294D+01 -0.578761D+00  0.123720D+01  0.140407D+01  0.134293D+01
      6   0.454588D+01  0.883215D+00 -0.135633D+01 -0.225189D+01 -0.231167D+01
               131           132           133           134           135 
      1  -0.217990D+02 -0.355221D+01  0.139470D+01 -0.372935D+01 -0.735892D+00
      2   0.292747D+02  0.292491D+01 -0.202743D+01  0.471191D+01  0.131283D+01
      3  -0.747567D+01  0.627296D+00  0.632732D+00 -0.982568D+00 -0.576942D+00
      4  -0.839058D+01 -0.993261D+00  0.103833D+01 -0.123501D+01 -0.167172D+01
      5  -0.132766D+01 -0.138454D+01  0.110032D+01 -0.686476D+00 -0.682168D+00
      6   0.481356D+01  0.535333D+01 -0.104279D+01  0.190660D+01  0.119170D+01
               136           137           138           139           140 
      1   0.613498D+01  0.481937D+01  0.111779D+01 -0.243924D+00 -0.135019D+02
      2   0.255789D+01  0.479785D+01  0.321857D+00  0.102894D+02  0.333439D+02
      3  -0.869288D+01 -0.961722D+01 -0.143964D+01 -0.100455D+02 -0.198420D+02
      4   0.190347D+02  0.231902D+02  0.590116D+01  0.242385D+02  0.446516D+02
      5   0.518721D+01  0.587469D+01  0.534269D+01  0.611269D+01  0.104002D+02
      6   0.388454D+01  0.460963D+01  0.323550D+01  0.592968D+01  0.137125D+02
               141           142           143           144           145 
      1  -0.348468D+01  0.601457D+00 -0.264453D+01 -0.153798D+01  0.974289D+02
      2   0.533431D+01  0.197090D+01  0.729506D+01  0.258771D+01 -0.551329D+02
      3  -0.184963D+01 -0.257236D+01 -0.465053D+01 -0.104972D+01 -0.422960D+02
      4   0.106076D+02  0.705978D+01  0.123570D+02  0.394387D+01  0.913622D+01
      5   0.656765D+01  0.252923D+01  0.336977D+01  0.248090D+01  0.121593D+02
      6   0.936273D+01  0.231778D+01  0.493514D+01  0.358121D+01 -0.224075D+01
               146           147           148           149           150 
      1   0.639819D+01  0.782888D+01  0.472724D+01  0.881469D+01  0.203812D+01
      2  -0.314386D+01 -0.533915D+01 -0.215537D+01 -0.404771D+01 -0.178531D+01
      3  -0.325433D+01 -0.248973D+01 -0.257187D+01 -0.476698D+01 -0.252809D+00
      4   0.900078D+01  0.552558D+00  0.143371D+02  0.289449D+01  0.145293D+01
      5   0.624058D+00  0.105104D+02  0.399765D+01  0.167872D+01  0.124439D+01
      6   0.444527D+00  0.254325D+00  0.994324D+00 -0.112420D+00  0.160504D+01
               151           152           153           154           155 
      1   0.103555D+02  0.233130D+01  0.295393D+01  0.189806D+02 -0.120598D+02
      2  -0.583364D+01 -0.131083D+01 -0.181863D+01 -0.250664D+01 -0.208762D+01
      3  -0.452184D+01 -0.102047D+01 -0.113530D+01 -0.164740D+02  0.141474D+02
      4   0.434911D+01  0.157070D+01  0.781454D+00 -0.306931D+02  0.293939D+02
      5   0.261937D+01  0.488415D+00  0.180058D+01 -0.579827D+01  0.425443D+01
      6   0.845454D-01  0.593123D+00  0.577451D+00  0.213123D+01 -0.196727D+01
               156           157           158           159           160 
      1  -0.235592D+01 -0.793589D+01  0.186065D+01  0.501908D+00 -0.387669D+00
      2   0.636104D+00 -0.669354D+01  0.180883D+02  0.115685D+01 -0.168259D+01
      3   0.171982D+01  0.146294D+02 -0.199490D+02 -0.165875D+01  0.207026D+01
      4   0.419625D+01  0.323615D+02 -0.434326D+02 -0.780204D+01  0.546476D+01
      5   0.573621D+01  0.667384D+01 -0.816908D+01 -0.599449D+01  0.207602D+01
      6  -0.296113D+01 -0.424239D+01  0.618693D+01  0.613531D+01 -0.148906D+01
               161           162           163           164           165 
      1  -0.651935D+00 -0.290396D+00 -0.510592D+01 -0.822975D+01 -0.332999D+01
      2   0.364365D+01  0.115893D+01  0.615476D+01  0.950280D+01  0.233742D+01
      3  -0.299171D+01 -0.868533D+00 -0.104884D+01 -0.127305D+01  0.992572D+00
      4  -0.765880D+01 -0.263498D+01  0.414313D+01  0.709246D+01  0.160036D+01
      5  -0.192274D+01 -0.129157D+01  0.114812D+01  0.139201D+01  0.194928D+01
      6   0.227136D+01  0.195968D+01  0.308313D+01  0.462977D+01  0.286294D+01
               166           167           168           169           170 
      1  -0.787803D+01 -0.298656D+02 -0.927023D+01 -0.266476D+01 -0.862988D+01
      2   0.936212D+01  0.377075D+02  0.813235D+01  0.301224D+01  0.100602D+02
      3  -0.148409D+01 -0.784192D+01  0.113788D+01 -0.347474D+00 -0.143034D+01
      4   0.537680D+01  0.624821D+00 -0.430596D+00  0.182613D+01  0.604648D+00
      5   0.113618D+01 -0.560561D+00  0.189038D+00  0.112827D+01  0.555970D+00
      6   0.378253D+01  0.141284D+02  0.937988D+01  0.149697D+01  0.544528D+01
               171 
      1  -0.367493D+01
      2   0.363672D+01
      3   0.382150D-01
      4   0.154410D+01
      5   0.918428D+00
      6   0.402966D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x         -0.453322D+00     -0.115223D+01     -0.384342D+01
   y         -0.449613D+00     -0.114280D+01     -0.381198D+01
   z          0.220954D+00      0.561610D+00      0.187333D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.121710D+03      0.180355D+02      0.200672D+02
   yx         0.123939D+01      0.183659D+00      0.204349D+00
   yy         0.977839D+02      0.144901D+02      0.161224D+02
   zx         0.142346D+01      0.210935D+00      0.234697D+00
   zy         0.658964D+01      0.976484D+00      0.108648D+01
   zz         0.653078D+02      0.967761D+01      0.107678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103113D+03      0.152798D+02      0.170011D+02
   aniso      0.504297D+02      0.747291D+01      0.831474D+01
   xx         0.130215D+03      0.192959D+02      0.214696D+02
   yx         0.105068D+01      0.155695D+00      0.173234D+00
   yy         0.105488D+03      0.156317D+02      0.173926D+02
   zx         0.133233D+01      0.197431D+00      0.219671D+00
   zy         0.634936D+01      0.940878D+00      0.104687D+01
   zz         0.736363D+02      0.109118D+02      0.121410D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -4.26489402          1.77909395          1.12281617
     6         -2.27859880          0.31983221          2.22092033
     1         -5.33889901          2.38031343          2.46235911
     1         -3.05056875         -1.47594418          2.91585410
     6         -1.06817656          1.72764595          4.43270801
     6         -0.35986096         -0.26988605          0.19277802
     1          0.44991963          0.61016929          5.26663239
     1         -2.46434331          2.10973542          5.90833549
     1         -0.28050423          3.51819641          3.78126826
     6          0.02177638          1.35539963         -1.84092584
     6          1.87242550          0.83044597         -3.62921229
     6          3.36533722         -1.31826723         -3.40363381
     6          2.98882733         -2.95143712         -1.38079957
     6          1.13308299         -2.42844570          0.39972143
     1         -1.15574686          3.01408543         -2.02267171
     1          2.14509964          2.10310151         -5.20790339
     1          4.80293561         -1.72546622         -4.80049219
     1          4.12967336         -4.63962440         -1.19746686
     1          0.83268800         -3.71905054          1.96222412

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.675629D+00      0.171728D+01      0.572822D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.913450D+02      0.135359D+02      0.150608D+02
   yx        -0.173592D+02     -0.257237D+01     -0.286215D+01
   yy         0.907608D+02      0.134494D+02      0.149644D+02
   zx        -0.219993D+02     -0.325996D+01     -0.362719D+01
   zy        -0.421763D+01     -0.624989D+00     -0.695394D+00
   zz         0.102696D+03      0.152179D+02      0.169322D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103113D+03      0.152798D+02      0.170011D+02
   aniso      0.504297D+02      0.747291D+01      0.831474D+01
   xx         0.997917D+02      0.147876D+02      0.164534D+02
   yx        -0.174362D+02     -0.258377D+01     -0.287483D+01
   yy         0.987444D+02      0.146324D+02      0.162808D+02
   zx        -0.220223D+02     -0.326336D+01     -0.363098D+01
   zy        -0.375378D+01     -0.556252D+00     -0.618914D+00
   zz         0.110803D+03      0.164193D+02      0.182690D+02

 ----------------------------------------------------------------------
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 WHERE THERE IS MUCH DESIRE TO LEARN, THERE OF NECESSITY WILL BE
 MUCH ARGUING, MUCH WRITING, MANY OPINIONS; FOR OPINION IN GOOD MEN
 IS BUT KNOWLEDGE IN THE MAKING. -- JOHN MILTON.
 Job cpu time:       0 days  6 hours  3 minutes 34.8 seconds.
 Elapsed time:       0 days  0 hours 45 minutes 32.3 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:55:42 2021.
